A0A096MYR4_PAPAN Loading...

Catenin alpha-2 AlphaSync

AlphaFold DB (P26232-3), UniProt , Accession A0A096MYR4, Species PAPAN (Papio anubis, Olive baboon), Gene CTNNA2, Length 860 aa.

						>A0A096MYR4_PAPAN|A0A096MYR4|CTNNA2
MTSATSPIILKWDPKSLEIRTLTVERLLEPLVTQVTTLVNTSNKGPSGKKKGRSKKAHVLAASVEQATQNFLEKGEQIAKESQDLKEELVAAVEDVRKQGETMRIASSEFADDPCSSVKRGTMVRAARALLSAVTRLLILADMADVMRLLSHLKIVEEALEAVKNATNEQDLANRFKEFGKEMVKLNYVAARRQQELKDPHCRDEMAAARGALKKNATMLYTASQAFLRHPDVAATRANRDYVFKQVQEAIAGISNAAQATSPTDEAKGHTGIGELAAALNEFDNKIILDPMTFSEARFRPSLEERLESIISGAALMADSSCTRDDRRERIVAECNAVRQALQDLLSEYMNNTGRKEKGDPLNIAIDKMTKKTRDLRRQLRKAVMDHISDSFLETNVPLLVLIEAAKSGNEKEVKEYAQVFREHANKLVEVANLACSISNNEEGVKLVRMAATQIDSLCPQVINAALTLAARPQSKVAQDNMDVFKDQWEKQVRVLTEAVDDITSVDDFLSVSENHILEDVNKCVIALQEGDVDTLDRTAGAIRGRAARVIHIINAEMENYEAGVYTEKVLEATKLLSETVMPRFAEQVEVAIEALSANVPQPFEENEFIDASRLVYDGVRDIRKAVLMIRTPEELEDDSDFEQEDYDVRSRTSVQTEDDQLIAGQSARAIMAQLPQEEKAKIAEQVEIFHQEKSKLDAEVAKWDDSGNDIIVLAKQMCMIMMEMTDFTRGKGPLKNTSDVINAAKKIAEAGSRMDKLARAVADQLDSATSLIQAAKNLMNAVVLTVKASYVASTKYQKVYGTAAVNSPVVSWKMKAPEKKPLVKREKPEEFQTRVRRGSQKKHISPVQALSEFKAMDSF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32	Very low	53.6	Low	242 Å²	242	110.7 Å²	110.7	100%	1.192	65%	0.648	S	S	*	*				0	113.4	0	-70.6	177.7	171.8	0	0	106.5	S3	M1-S3 PolarHBondContact O-N 3.39Å
2	T	32.8	Very low	54.5	Low	146 Å²	146	102.1 Å²	102.1	90%	0.896	60%	0.596	S	S	*	*			trans	-66.7	101.8	169.3	44.8	0	0	0	0	106.3	A4	T2-A4 PolarHBondContact O-N 3.41Å; T2-A4 VanDerWaalsContact O-N 3.09Å
3	S	40	Very low	55.6	Low	94 Å²	94	101 Å²	101	66%	0.657	59%	0.587	S	S	*	*			trans	-51.3	120.2	169.2	-176.9	0	0	0	0	106.4	M1 T5	M1-S3 PolarHBondContact O-N 3.39Å; S3-T5 PolarHBondContact O-N 3.05Å
4	A	37.6	Very low	56	Low	97 Å²	97	97.6 Å²	97.6	80%	0.802	57%	0.569	S	S	*	*			trans	-66.8	84.7	176.2	0	0	0	0	0	106.9	T2 S6	T2-A4 PolarHBondContact O-N 3.41Å; T2-A4 VanDerWaalsContact O-N 3.09Å; A4-S6 PolarHBondContact O-N 3.34Å; A4-S6 VanDerWaalsContact O-N 3.08Å
5	T	44.2	Very low	56.4	Low	88 Å²	88	102.8 Å²	102.8	54%	0.54	58%	0.582	S	S	.	*			trans	-60.4	111.1	178	33	0	0	0	0	108.2	S3 K154	S3-T5 PolarHBondContact O-N 3.05Å; T5-K154 VanDerWaalsContact CB-NZ 3.33Å
6	S	51.1	Low	57.4	Low	91 Å²	91	98.3 Å²	98.3	64%	0.636	56%	0.559	S	S	*	*			trans	-49.8	131	170.1	-56.2	0	0	0	0	109.3	A4 K154	A4-S6 PolarHBondContact O-N 3.34Å; A4-S6 VanDerWaalsContact O-N 3.08Å; S6-K154 PolarHBondContact O-NZ 2.85Å
7	P	63.9	Low	58.2	Low	107 Å²	107	98.6 Å²	98.6	70%	0.695	56%	0.558	S	S	*	*			trans	-59.2	143.1	-179.5	22.7	-31.2	0	0	0	110.3	I9	P7-I9 PolarHBondContact O-N 3.27Å; P7-I9 VanDerWaalsContact O-N 3.13Å
8	I	71.7	Confident	59.5	Low	53 Å²	53	98.7 Å²	98.7	27%	0.272	55%	0.553	S	S	.	*			trans	-66.7	111.8	171.7	-63.2	171.9	0	0	0	106.5	L150 K154	I8-L150 HydrophobicContact CG2-CB 3.84Å; I8-L150 HydrophobicContact CG2-CD1 3.92Å; I8-K154 HydrophobicContact CG1-CD 4.34Å
9	I	71	Confident	60.8	Low	133 Å²	133	96.2 Å²	96.2	68%	0.682	54%	0.538	S	S	*	.			trans	-92.6	108.1	177.2	-58.6	172.9	0	0	0	107.4	P7 K11	P7-I9 PolarHBondContact O-N 3.27Å; P7-I9 VanDerWaalsContact O-N 3.13Å; I9-K11 PolarHBondContact O-N 2.94Å
10	L	71.8	Confident	62	Low	34 Å²	34	93.4 Å²	93.4	18%	0.178	52%	0.519	C	S	.	.			trans	-72	123.5	169.9	-171.9	71.8	0	0	0	109	W12 M143 V146 M147 L150	L10-W12 VanDerWaalsContact C-N 3.28Å; L10-W12 HydrophobicContact CD1-CB 4.29Å; L10-W12 HydrophobicContact CD2-CB 4.12Å; L10-W12 HydrophobicContact CG-CB 3.96Å; L10-M143 HydrophobicContact CD2-CB 4.48Å; L10-M143 HydrophobicContact CD2-CE 3.31Å; L10-M143 HydrophobicContact CD2-CG 4.5Å; L10-V146 HydrophobicContact CD1-CG1 3.97Å; L10-M147 HydrophobicContact CD1-CG 4.21Å; L10-L150 HydrophobicContact CD1-CD1 4.02Å
11	K	73.5	Confident	63.4	Low	133 Å²	133	89 Å²	89	58%	0.578	50%	0.495	S	S	*	.			trans	-82.9	-4.5	176.9	-65.5	179.1	-179	174.2	0	113.6	I9 T261	I9-K11 PolarHBondContact O-N 2.94Å; K11-T261 HydrophobicContact CB-CG2 3.7Å; K11-T261 HydrophobicContact CD-CG2 3.94Å
12	W	64.4	Low	66.1	Low	7 Å²	7	79.3 Å²	79.3	3%	0.027	45%	0.447	C	S	.	.	S	Bend	trans	-91.5	125.7	179.9	-177.7	10.7	0	0	0	110.7	L10 P14 S16 R20 I139 D142 M143 V146	L10-W12 VanDerWaalsContact C-N 3.28Å; L10-W12 HydrophobicContact CD1-CB 4.29Å; L10-W12 HydrophobicContact CD2-CB 4.12Å; L10-W12 HydrophobicContact CG-CB 3.96Å; W12-P14 VanDerWaalsContact O-CD 3.28Å; W12-P14 WeakPolarHBondContact O-CD 3.49Å; W12-S16 PolarHBondContact NE1-OG 3.34Å; W12-R20 HydrophobicContact CZ2-CG 4.25Å; W12-I139 HydrophobicContact CH2-CG2 4.2Å; W12-I139 HydrophobicContact CZ2-CG2 3.76Å; W12-D142 HydrophobicContact CH2-CB 4.2Å; W12-D142 VanDerWaalsContact CH2-OD2 3.23Å; W12-D142 WeakPolarHBondContact CH2-OD2 3.42Å; W12-D142 VanDerWaalsContact CZ3-OD2 3.29Å; W12-D142 WeakPolarHBondContact CZ3-OD2 3.39Å; W12-M143 HydrophobicContact CD2-CG 3.75Å; W12-M143 HydrophobicContact CD2-SD 4.37Å; W12-M143 HydrophobicContact CE3-CB 4.31Å; W12-M143 HydrophobicContact CE3-CG 3.36Å; W12-M143 HydrophobicContact CH2-CG 3.58Å; W12-M143 HydrophobicContact CZ2-CG 3.97Å; W12-M143 HydrophobicContact CZ3-CB 4.12Å; W12-M143 HydrophobicContact CZ3-CG 3.26Å; W12-V146 HydrophobicContact CZ3-CG2 4.22Å
13	D	69.4	Low	68.8	Low	88 Å²	88	75.4 Å²	75.4	47%	0.471	42%	0.423	S	S	.	.			trans	-67.5	116.4	177.3	-178.9	8.4	0	0	0	111.9	K15 S16	D13-K15 PolarHBondContact O-N 2.78Å; D13-K15 WeakPolarHBondContact OD1-CB 3.42Å; D13-K15 PolarHBondContact OD1-N 3.03Å; D13-S16 WeakPolarHBondContact O-CB 3.5Å; D13-S16 PolarHBondContact O-N 3.09Å; D13-S16 PolarHBondContact O-OG 3.02Å
14	P	60.5	Low	71.1	Confident	53 Å²	53	71.4 Å²	71.4	34%	0.344	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-13.1	175.6	22.9	-32.7	0	0	0	114.8	W12 L140 M143	W12-P14 VanDerWaalsContact O-CD 3.28Å; W12-P14 WeakPolarHBondContact O-CD 3.49Å; P14-L140 HydrophobicContact CB-CD2 4.48Å; P14-M143 VanDerWaalsContact CA-CE 3.44Å; P14-M143 HydrophobicContact CB-CE 3.52Å; P14-M143 HydrophobicContact CB-SD 4.28Å; P14-M143 HydrophobicContact CG-CE 4.43Å
15	K	62.7	Low	73.6	Confident	176 Å²	176	70 Å²	70	77%	0.765	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-12.9	176.3	-61.2	179.7	-179.2	175.2	0	113.2	D13	D13-K15 PolarHBondContact O-N 2.78Å; D13-K15 WeakPolarHBondContact OD1-CB 3.42Å; D13-K15 PolarHBondContact OD1-N 3.03Å
16	S	72.3	Confident	75.7	Confident	31 Å²	31	74 Å²	74	22%	0.217	38%	0.377	C	S	.	.			trans	-70.5	136.1	178.2	69.3	0	0	0	0	111	W12 D13	W12-S16 PolarHBondContact NE1-OG 3.34Å; D13-S16 WeakPolarHBondContact O-CB 3.5Å; D13-S16 PolarHBondContact O-N 3.09Å; D13-S16 PolarHBondContact O-OG 3.02Å
17	L	70.9	Confident	77.4	Confident	103 Å²	103	74.3 Å²	74.3	54%	0.539	37%	0.371	S	S	.	.			trans	-93.8	26.4	173.1	-70.3	174.5	0	0	0	111.8	I19 T135 R136 I139	L17-I19 PolarHBondContact O-N 3.03Å; L17-T135 HydrophobicContact CD2-CG2 4.28Å; L17-R136 HydrophobicContact CD2-CB 4.37Å; L17-I139 VanDerWaalsContact C-CD1 3.49Å; L17-I139 HydrophobicContact CB-CD1 4.34Å; L17-I139 HydrophobicContact CD2-CD1 4.09Å
18	E	80.9	Confident	78.4	Confident	100 Å²	100	69.4 Å²	69.4	47%	0.467	34%	0.339	S	S	.	.			trans	-75.9	120.8	-179	-170.5	-175.7	-164.4	0	0	110.5	R20	E18-R20 HydrophobicContact CG-CG 4.12Å; E18-R20 PolarHBondContact O-N 2.9Å; E18-R20 IonicContact OE2-CZ 3.2Å; E18-R20 VanDerWaalsContact OE2-CZ 3.28Å; E18-R20 IonicContact OE2-NE 3.81Å; E18-R20 PolarHBondContact OE2-NE 3.45Å; E18-R20 IonicContact OE2-NH2 3.8Å; E18-R20 PolarHBondContact OE2-NH2 3.36Å
19	I	84.2	Confident	79	Confident	51 Å²	51	72.7 Å²	72.7	26%	0.262	35%	0.353	S	S	.	.			trans	-87.5	110.6	176.5	-61	166.1	0	0	0	108.8	L17 V24 E25 L28 I139	L17-I19 PolarHBondContact O-N 3.03Å; I19-V24 HydrophobicContact CG1-CG1 4.2Å; I19-V24 HydrophobicContact CG2-CB 3.94Å; I19-V24 HydrophobicContact CG2-CG1 3.79Å; I19-E25 HydrophobicContact CG2-CB 3.96Å; I19-L28 HydrophobicContact CD1-CD1 3.61Å; I19-L28 HydrophobicContact CG1-CD1 4.28Å; I19-I139 HydrophobicContact CG1-CD1 4.5Å
20	R	85.5	Confident	79.4	Confident	41 Å²	41	69.5 Å²	69.5	16%	0.155	34%	0.341	C	S	.	.			trans	-101.8	-10	-175.7	-64.2	-179.5	175.8	-162	-11.1	114.7	W12 E18 K198 Q259	W12-R20 HydrophobicContact CZ2-CG 4.25Å; E18-R20 HydrophobicContact CG-CG 4.12Å; E18-R20 PolarHBondContact O-N 2.9Å; E18-R20 IonicContact OE2-CZ 3.2Å; E18-R20 VanDerWaalsContact OE2-CZ 3.28Å; E18-R20 IonicContact OE2-NE 3.81Å; E18-R20 PolarHBondContact OE2-NE 3.45Å; E18-R20 IonicContact OE2-NH2 3.8Å; E18-R20 PolarHBondContact OE2-NH2 3.36Å; R20-K198 WeakPolarHBondContact O-CB 3.45Å; R20-K198 PolarHBondContact O-N 2.77Å; R20-Q259 PolarHBondContact NH1-O 2.98Å
21	T	89.9	Confident	79.8	Confident	2 Å²	2	71.2 Å²	71.2	1%	0.012	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-120.2	142.2	179.7	50.7	0	0	0	0	113.5	T23 V24 E25 D142 E196	T21-T23 PolarHBondContact O-N 3.42Å; T21-V24 PolarHBondContact O-N 3.26Å; T21-V24 VanDerWaalsContact OG1-CG2 3.31Å; T21-V24 WeakPolarHBondContact OG1-CG2 3.37Å; T21-E25 PolarHBondContact O-N 3.27Å; T21-E25 VanDerWaalsContact O-N 3.09Å; T21-D142 WeakPolarHBondContact CG2-OD1 3.3Å; T21-D142 PolarHBondContact OG1-OD1 2.89Å; T21-E196 CarbonylContact C-O 3.52Å; T21-E196 WeakPolarHBondContact CA-O 3.29Å; T21-E196 WeakPolarHBondContact CB-O 3.46Å; T21-E196 HydrophobicContact CG2-CB 4.08Å
22	L	89.9	Confident	80.1	Confident	38 Å²	38	68 Å²	68	20%	0.199	34%	0.341	C	S	.	.	H	α-helix	trans	-59.8	-33.3	175.3	-64.2	172.1	0	0	0	111.4	R26 E196 K198	L22-R26 VanDerWaalsContact O-CB 3.3Å; L22-R26 WeakPolarHBondContact O-CB 3.47Å; L22-R26 WeakPolarHBondContact O-CG 3.13Å; L22-R26 PolarHBondContact O-N 3.14Å; L22-E196 PolarHBondContact N-O 2.87Å; L22-K198 HydrophobicContact CD2-CB 4.32Å; L22-K198 HydrophobicContact CD2-CG 4.23Å
23	T	88.9	Confident	80.6	Confident	63 Å²	63	71.3 Å²	71.3	39%	0.387	36%	0.363	S	S	.	.	H	α-helix	trans	-64.5	-49.1	178.2	-56.2	0	0	0	0	111.3	T21 E25 R26 L27	T21-T23 PolarHBondContact O-N 3.42Å; T23-E25 VanDerWaalsContact C-N 3.34Å; T23-E25 PolarHBondContact O-N 3.21Å; T23-R26 PolarHBondContact O-N 3.15Å; T23-L27 HydrophobicContact CG2-CD1 4.06Å; T23-L27 WeakPolarHBondContact O-CB 3.47Å; T23-L27 VanDerWaalsContact O-CG 3.24Å; T23-L27 WeakPolarHBondContact O-CG 3.33Å; T23-L27 PolarHBondContact O-N 2.79Å
24	V	89.2	Confident	80.8	Confident	11 Å²	11	73.2 Å²	73.2	7%	0.067	37%	0.369	C	S	.	.	H	α-helix	trans	-64.2	-41.5	178	173.5	0	0	0	0	110.6	I19 T21 L27 L28 L138 D142	I19-V24 HydrophobicContact CG1-CG1 4.2Å; I19-V24 HydrophobicContact CG2-CB 3.94Å; I19-V24 HydrophobicContact CG2-CG1 3.79Å; T21-V24 PolarHBondContact O-N 3.26Å; T21-V24 VanDerWaalsContact OG1-CG2 3.31Å; T21-V24 WeakPolarHBondContact OG1-CG2 3.37Å; V24-L27 PolarHBondContact O-N 2.86Å; V24-L28 HydrophobicContact CG1-CD1 3.7Å; V24-L28 HydrophobicContact CG1-CG 4.38Å; V24-L28 WeakPolarHBondContact O-CB 3.32Å; V24-L28 WeakPolarHBondContact O-CG 3.43Å; V24-L28 PolarHBondContact O-N 3.49Å; V24-L138 HydrophobicContact CG1-CB 4.01Å; V24-L138 HydrophobicContact CG1-CD1 4.46Å; V24-L138 HydrophobicContact CG2-CB 4.29Å; V24-D142 HydrophobicContact CG2-CB 4.46Å
25	E	88.7	Confident	81.3	Confident	68 Å²	68	71.8 Å²	71.8	32%	0.318	36%	0.359	S	S	.	.	H	α-helix	trans	-59.1	-51.2	175.8	-177.6	165.6	-131.4	0	0	112.2	I19 T21 T23 L27 L28 E29 K198	I19-E25 HydrophobicContact CG2-CB 3.96Å; T21-E25 PolarHBondContact O-N 3.27Å; T21-E25 VanDerWaalsContact O-N 3.09Å; T23-E25 VanDerWaalsContact C-N 3.34Å; T23-E25 PolarHBondContact O-N 3.21Å; E25-L27 VanDerWaalsContact C-N 3.32Å; E25-L27 PolarHBondContact O-N 3.36Å; E25-L28 PolarHBondContact O-N 2.91Å; E25-E29 WeakPolarHBondContact O-CB 3.38Å; E25-E29 PolarHBondContact O-N 3.38Å; E25-K198 WeakPolarHBondContact OE1-CE 3.41Å; E25-K198 IonicContact OE1-NZ 3.74Å; E25-K198 PolarHBondContact OE1-NZ 3.49Å; E25-K198 WeakPolarHBondContact OE2-CD 3.43Å; E25-K198 WeakPolarHBondContact OE2-CE 3.5Å; E25-K198 IonicContact OE2-NZ 3.23Å
26	R	89.3	Confident	81.7	Confident	171 Å²	171	66.5 Å²	66.5	65%	0.645	34%	0.341	S	S	*	.	H	α-helix	trans	-63	-35.1	178.8	-73.6	171.9	-180	177.6	1.2	113	L22 T23 P30	L22-R26 VanDerWaalsContact O-CB 3.3Å; L22-R26 WeakPolarHBondContact O-CB 3.47Å; L22-R26 WeakPolarHBondContact O-CG 3.13Å; L22-R26 PolarHBondContact O-N 3.14Å; T23-R26 PolarHBondContact O-N 3.15Å; R26-P30 WeakPolarHBondContact O-CD 3.26Å
27	L	86.2	Confident	81.6	Confident	98 Å²	98	68.7 Å²	68.7	51%	0.513	35%	0.353	S	S	.	.	H	α-helix	trans	-70.1	-36.7	176.4	-73.8	172.6	0	0	0	112	T23 V24 E25 L138	T23-L27 HydrophobicContact CG2-CD1 4.06Å; T23-L27 WeakPolarHBondContact O-CB 3.47Å; T23-L27 VanDerWaalsContact O-CG 3.24Å; T23-L27 WeakPolarHBondContact O-CG 3.33Å; T23-L27 PolarHBondContact O-N 2.79Å; V24-L27 PolarHBondContact O-N 2.86Å; E25-L27 VanDerWaalsContact C-N 3.32Å; E25-L27 PolarHBondContact O-N 3.36Å; L27-L138 HydrophobicContact CB-CD1 4.38Å; L27-L138 HydrophobicContact CD1-CD2 4.42Å
28	L	86.3	Confident	81.4	Confident	4 Å²	4	66.6 Å²	66.6	2%	0.021	34%	0.343	C	S	.	.	H	α-helix	trans	-82.5	-29.7	-178.9	-72.1	173.7	0	0	0	113.3	I19 V24 E25 L31 V32 L131 V134 T135 L138	I19-L28 HydrophobicContact CD1-CD1 3.61Å; I19-L28 HydrophobicContact CG1-CD1 4.28Å; V24-L28 HydrophobicContact CG1-CD1 3.7Å; V24-L28 HydrophobicContact CG1-CG 4.38Å; V24-L28 WeakPolarHBondContact O-CB 3.32Å; V24-L28 WeakPolarHBondContact O-CG 3.43Å; V24-L28 PolarHBondContact O-N 3.49Å; E25-L28 PolarHBondContact O-N 2.91Å; L28-L31 HydrophobicContact CD2-CD1 4.39Å; L28-L31 WeakPolarHBondContact O-CB 3.39Å; L28-L31 PolarHBondContact O-N 3Å; L28-V32 HydrophobicContact CB-CG2 4.46Å; L28-V32 WeakPolarHBondContact O-CG2 3.33Å; L28-V32 PolarHBondContact O-N 3.4Å; L28-L131 HydrophobicContact CD2-CD1 4.09Å; L28-V134 HydrophobicContact CD2-CG1 4.24Å; L28-T135 HydrophobicContact CD1-CG2 3.78Å; L28-T135 WeakPolarHBondContact CD2-OG1 3.27Å; L28-L138 HydrophobicContact CD1-CD1 4.43Å; L28-L138 HydrophobicContact CD2-CD1 3.8Å; L28-L138 HydrophobicContact CG-CD1 3.89Å
29	E	83.3	Confident	80.6	Confident	121 Å²	121	63 Å²	63	57%	0.565	33%	0.328	S	S	*	.	H	α-helix	trans	-50.9	-52.7	-175.7	173.6	-179.5	-161.3	0	0	113	E25 L31 V32 T33	E25-E29 WeakPolarHBondContact O-CB 3.38Å; E25-E29 PolarHBondContact O-N 3.38Å; E29-L31 VanDerWaalsContact C-N 3.29Å; E29-L31 PolarHBondContact O-N 3.26Å; E29-V32 PolarHBondContact O-N 2.84Å; E29-T33 PolarHBondContact O-N 3.09Å; E29-T33 PolarHBondContact O-OG1 2.69Å
30	P	80.4	Confident	79.6	Confident	67 Å²	67	65.4 Å²	65.4	44%	0.435	34%	0.341	S	S	.	.	H	α-helix	trans	-60.1	-37.3	177.6	-22.8	32.8	0	0	0	113.4	R26 Q34	R26-P30 WeakPolarHBondContact O-CD 3.26Å; P30-Q34 WeakPolarHBondContact O-CB 2.97Å; P30-Q34 WeakPolarHBondContact O-CG 3.5Å; P30-Q34 PolarHBondContact O-N 2.91Å
31	L	78.5	Confident	78.3	Confident	70 Å²	70	66.3 Å²	66.3	37%	0.366	35%	0.351	S	S	.	.	H	α-helix	trans	-69.1	-45.1	179.8	-68.7	166.2	0	0	0	110.7	L28 E29 Q34 V35 L131 V134	L28-L31 HydrophobicContact CD2-CD1 4.39Å; L28-L31 WeakPolarHBondContact O-CB 3.39Å; L28-L31 PolarHBondContact O-N 3Å; E29-L31 VanDerWaalsContact C-N 3.29Å; E29-L31 PolarHBondContact O-N 3.26Å; L31-Q34 PolarHBondContact O-N 2.76Å; L31-V35 WeakPolarHBondContact O-CB 3.24Å; L31-V35 VanDerWaalsContact O-CG2 3.31Å; L31-V35 WeakPolarHBondContact O-CG2 3.06Å; L31-V35 PolarHBondContact O-N 2.75Å; L31-L131 HydrophobicContact CB-CD1 3.84Å; L31-V134 HydrophobicContact CD1-CG1 4.33Å
32	V	79.9	Confident	76.5	Confident	64 Å²	64	68.9 Å²	68.9	39%	0.388	37%	0.369	S	S	.	.	H	α-helix	trans	-60.8	-45.8	176.1	173.9	0	0	0	0	110.2	L28 E29 Q34 T36 L131	L28-V32 HydrophobicContact CB-CG2 4.46Å; L28-V32 WeakPolarHBondContact O-CG2 3.33Å; L28-V32 PolarHBondContact O-N 3.4Å; E29-V32 PolarHBondContact O-N 2.84Å; V32-Q34 PolarHBondContact O-N 2.88Å; V32-T36 WeakPolarHBondContact O-CB 3.37Å; V32-T36 PolarHBondContact O-N 2.95Å; V32-T36 PolarHBondContact O-OG1 3.19Å; V32-L131 HydrophobicContact CG2-CD1 4.37Å; V32-L131 HydrophobicContact CG2-CD2 4.06Å
33	T	75.1	Confident	74.7	Confident	78 Å²	78	74 Å²	74	48%	0.479	40%	0.396	S	S	.	.	H	α-helix	trans	-61	-44.7	177.1	-53.2	0	0	0	0	111.8	E29 T36 T37	E29-T33 PolarHBondContact O-N 3.09Å; E29-T33 PolarHBondContact O-OG1 2.69Å; T33-T36 PolarHBondContact O-N 3.19Å; T33-T37 WeakPolarHBondContact O-CB 3.42Å; T33-T37 PolarHBondContact O-N 3.34Å; T33-T37 PolarHBondContact O-OG1 3Å
34	Q	73.7	Confident	72.9	Confident	128 Å²	128	79.4 Å²	79.4	60%	0.598	42%	0.415	S	S	*	.	H	α-helix	trans	-64.4	-49.6	179.4	-75.2	175.4	21	0	0	111.8	P30 L31 V32 T36 T37 L38	P30-Q34 WeakPolarHBondContact O-CB 2.97Å; P30-Q34 WeakPolarHBondContact O-CG 3.5Å; P30-Q34 PolarHBondContact O-N 2.91Å; L31-Q34 PolarHBondContact O-N 2.76Å; V32-Q34 PolarHBondContact O-N 2.88Å; Q34-T36 VanDerWaalsContact C-N 3.33Å; Q34-T36 PolarHBondContact O-N 3.25Å; Q34-T37 PolarHBondContact O-N 2.95Å; Q34-L38 WeakPolarHBondContact O-CB 3.22Å; Q34-L38 PolarHBondContact O-N 2.98Å
35	V	71.4	Confident	71.1	Confident	23 Å²	23	80.9 Å²	80.9	14%	0.139	43%	0.432	C	S	.	.	H	α-helix	trans	-61.2	-43.3	177.8	173.6	0	0	0	0	110.8	L31 T37 L38 V39 A127 R128 L131	L31-V35 WeakPolarHBondContact O-CB 3.24Å; L31-V35 VanDerWaalsContact O-CG2 3.31Å; L31-V35 WeakPolarHBondContact O-CG2 3.06Å; L31-V35 PolarHBondContact O-N 2.75Å; V35-T37 PolarHBondContact O-N 2.82Å; V35-L38 WeakPolarHBondContact O-CB 3.23Å; V35-L38 PolarHBondContact O-N 3.37Å; V35-V39 WeakPolarHBondContact O-CG2 3.41Å; V35-V39 PolarHBondContact O-N 2.87Å; V35-A127 HydrophobicContact CG2-CB 4.32Å; V35-R128 HydrophobicContact CG1-CG 3.99Å; V35-L131 HydrophobicContact CB-CD2 4.2Å; V35-L131 HydrophobicContact CG1-CD2 4.34Å; V35-L131 HydrophobicContact CG2-CD2 4.14Å
36	T	71.3	Confident	69.3	Low	64 Å²	64	84 Å²	84	39%	0.393	46%	0.458	S	S	.	.	H	α-helix	trans	-63.8	-39.8	177.6	-58.2	0	0	0	0	111.8	V32 T33 Q34 L38 V39 N40	V32-T36 WeakPolarHBondContact O-CB 3.37Å; V32-T36 PolarHBondContact O-N 2.95Å; V32-T36 PolarHBondContact O-OG1 3.19Å; T33-T36 PolarHBondContact O-N 3.19Å; Q34-T36 VanDerWaalsContact C-N 3.33Å; Q34-T36 PolarHBondContact O-N 3.25Å; T36-L38 VanDerWaalsContact C-N 3.35Å; T36-V39 PolarHBondContact O-N 2.93Å; T36-N40 WeakPolarHBondContact O-CB 3.15Å; T36-N40 VanDerWaalsContact O-CG 3.31Å; T36-N40 PolarHBondContact O-N 3.49Å; T36-N40 PolarHBondContact O-ND2 2.63Å
37	T	69.4	Low	67.6	Low	77 Å²	77	80.1 Å²	80.1	47%	0.472	46%	0.457	S	S	.	.	H	α-helix	trans	-64.6	-40.7	175.1	-58.9	0	0	0	0	111.5	T33 Q34 V35 V39 N40 T41	T33-T37 WeakPolarHBondContact O-CB 3.42Å; T33-T37 PolarHBondContact O-N 3.34Å; T33-T37 PolarHBondContact O-OG1 3Å; Q34-T37 PolarHBondContact O-N 2.95Å; V35-T37 PolarHBondContact O-N 2.82Å; T37-V39 VanDerWaalsContact C-N 3.32Å; T37-V39 PolarHBondContact O-N 3.27Å; T37-N40 PolarHBondContact O-N 3.45Å; T37-T41 HydrophobicContact CG2-CG2 4.44Å; T37-T41 WeakPolarHBondContact O-CB 3.37Å; T37-T41 WeakPolarHBondContact O-CG2 3.45Å; T37-T41 PolarHBondContact O-N 3.29Å; T37-T41 PolarHBondContact O-OG1 3.33Å
38	L	66.7	Low	66	Low	60 Å²	60	79.7 Å²	79.7	31%	0.314	48%	0.476	S	S	.	.	H	α-helix	trans	-64.6	-37.4	179	-132.8	147.6	0	0	0	112.2	Q34 V35 T36 T41 R120 M123 V124	Q34-L38 WeakPolarHBondContact O-CB 3.22Å; Q34-L38 PolarHBondContact O-N 2.98Å; V35-L38 WeakPolarHBondContact O-CB 3.23Å; V35-L38 PolarHBondContact O-N 3.37Å; T36-L38 VanDerWaalsContact C-N 3.35Å; L38-T41 PolarHBondContact O-OG1 2.85Å; L38-R120 PolarHBondContact O-NH2 3.35Å; L38-R120 VanDerWaalsContact O-NH2 3.1Å; L38-M123 HydrophobicContact CD2-CE 3.41Å; L38-M123 VanDerWaalsContact CD2-CE 3.41Å; L38-V124 HydrophobicContact CD2-CG2 3.79Å
39	V	64.2	Low	64.4	Low	25 Å²	25	87.9 Å²	87.9	15%	0.152	51%	0.512	C	S	.	.	H	α-helix	trans	-67.3	-55.5	171.8	172.4	0	0	0	0	110.8	V35 T36 T37 T41 S42 V124	V35-V39 WeakPolarHBondContact O-CG2 3.41Å; V35-V39 PolarHBondContact O-N 2.87Å; T36-V39 PolarHBondContact O-N 2.93Å; T37-V39 VanDerWaalsContact C-N 3.32Å; T37-V39 PolarHBondContact O-N 3.27Å; V39-T41 PolarHBondContact O-N 3.2Å; V39-S42 VanDerWaalsContact O-CB 3.26Å; V39-S42 WeakPolarHBondContact O-CB 3.34Å; V39-S42 PolarHBondContact O-N 3.23Å; V39-S42 PolarHBondContact O-OG 3.43Å; V39-V124 HydrophobicContact CG2-CG1 3.55Å
40	N	63.5	Low	62.7	Low	101 Å²	101	92 Å²	92	54%	0.54	53%	0.527	S	S	.	.	H	α-helix	trans	-66.7	-24.8	-172.1	-71.9	-17.4	0	0	0	113.2	T36 T37 S42	T36-N40 WeakPolarHBondContact O-CB 3.15Å; T36-N40 VanDerWaalsContact O-CG 3.31Å; T36-N40 PolarHBondContact O-N 3.49Å; T36-N40 PolarHBondContact O-ND2 2.63Å; T37-N40 PolarHBondContact O-N 3.45Å; N40-S42 VanDerWaalsContact C-N 3.3Å
41	T	58.7	Low	61	Low	60 Å²	60	99.1 Å²	99.1	37%	0.368	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.9	-6.9	173.4	51.9	0	0	0	0	113.3	T37 L38 V39 N43 R120	T37-T41 HydrophobicContact CG2-CG2 4.44Å; T37-T41 WeakPolarHBondContact O-CB 3.37Å; T37-T41 WeakPolarHBondContact O-CG2 3.45Å; T37-T41 PolarHBondContact O-N 3.29Å; T37-T41 PolarHBondContact O-OG1 3.33Å; L38-T41 PolarHBondContact O-OG1 2.85Å; V39-T41 PolarHBondContact O-N 3.2Å; T41-N43 VanDerWaalsContact C-N 3.3Å; T41-R120 PolarHBondContact O-NH1 3.48Å; T41-R120 PolarHBondContact O-NH2 2.87Å; T41-R120 VanDerWaalsContact O-NH2 3.13Å; T41-R120 PolarHBondContact OG1-NH2 3.32Å
42	S	51.9	Low	59.8	Low	55 Å²	55	98.1 Å²	98.1	39%	0.385	56%	0.558	S	S	.	*	G	3₁₀ helix	trans	-66.5	-34.6	175.7	73.2	0	0	0	0	112	V39 N40 K44 R120	V39-S42 VanDerWaalsContact O-CB 3.26Å; V39-S42 WeakPolarHBondContact O-CB 3.34Å; V39-S42 PolarHBondContact O-N 3.23Å; V39-S42 PolarHBondContact O-OG 3.43Å; N40-S42 VanDerWaalsContact C-N 3.3Å; S42-K44 VanDerWaalsContact C-N 3.33Å; S42-K44 PolarHBondContact O-N 3.12Å; S42-R120 VanDerWaalsContact CA-CZ 3.41Å; S42-R120 VanDerWaalsContact N-NH2 3.13Å
43	N	51.6	Low	58.3	Low	145 Å²	145	107.5 Å²	107.5	78%	0.775	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-82.8	-10	-176.3	-67.7	-2	0	0	0	113.3	T41	T41-N43 VanDerWaalsContact C-N 3.3Å
44	K	51.5	Low	57.7	Low	178 Å²	178	108.7 Å²	108.7	77%	0.774	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-105	7.6	-168.9	-67.9	-168.7	177.1	-177.1	0	115.5	S42	S42-K44 VanDerWaalsContact C-N 3.33Å; S42-K44 PolarHBondContact O-N 3.12Å
45	G	52.3	Low	57.5	Low	41 Å²	41	109.3 Å²	109.3	42%	0.423	60%	0.599	S	S	.	*			trans	61.3	-175.4	-174.7	0	0	0	0	0	112.8	S47	G45-S47 PolarHBondContact O-N 3.38Å
46	P	50.1	Low	57.8	Low	133 Å²	133	116.1 Å²	116.1	86%	0.864	63%	0.627	S	S	*	*	S	Bend	trans	-61.7	126.5	176.3	-17.2	29.8	0	0	0	110.3	G48	P46-G48 PolarHBondContact O-N 3.36Å
47	S	54.5	Low	58.3	Low	90 Å²	90	115 Å²	115	63%	0.629	62%	0.624	S	S	*	*			trans	-60.8	127.7	178.3	-177.8	0	0	0	0	111	G45 K49	G45-S47 PolarHBondContact O-N 3.38Å; S47-K49 PolarHBondContact O-N 3.04Å; S47-K49 VanDerWaalsContact O-N 3.1Å; S47-K49 PolarHBondContact OG-N 3.12Å
48	G	52.5	Low	59	Low	89 Å²	89	115.7 Å²	115.7	92%	0.918	62%	0.621	S	S	*	*			trans	-72.2	11.6	173.4	0	0	0	0	0	115	P46	P46-G48 PolarHBondContact O-N 3.36Å
49	K	52.5	Low	59.8	Low	177 Å²	177	116.2 Å²	116.2	77%	0.77	63%	0.627	S	S	*	*	S	Bend	trans	-69.4	138.7	174.6	-72.2	-173.2	177.4	-174.9	0	109.6	S47 K51	S47-K49 PolarHBondContact O-N 3.04Å; S47-K49 VanDerWaalsContact O-N 3.1Å; S47-K49 PolarHBondContact OG-N 3.12Å; K49-K51 PolarHBondContact O-N 3.3Å
50	K	46.3	Very low	60.7	Low	206 Å²	206	119.4 Å²	119.4	90%	0.896	64%	0.643	S	S	*	*			trans	-40.9	133.6	177.3	-79.4	-179	176.6	176.3	0	109.8	G52	K50-G52 PolarHBondContact O-N 2.84Å
51	K	45.7	Very low	61.7	Low	217 Å²	217	115.3 Å²	115.3	94%	0.943	62%	0.623	S	S	*	*			trans	-58.8	78.4	178	-159.2	178.6	-171.9	178.9	0	109.5	K49	K49-K51 PolarHBondContact O-N 3.3Å
52	G	52.1	Low	63	Low	49 Å²	49	114.9 Å²	114.9	51%	0.505	63%	0.626	S	S	.	*			trans	-59.4	154.9	168.4	0	0	0	0	0	108.1	K50 S54	K50-G52 PolarHBondContact O-N 2.84Å; G52-S54 PolarHBondContact O-N 3.45Å
53	R	50.1	Low	64.5	Low	262 Å²	262	115.1 Å²	115.1	99%	0.989	63%	0.627	S	S	*	*			trans	-71.1	64.9	176.3	-160.4	-177.1	-172.1	-169.9	2.8	109.3
54	S	61.2	Low	66.1	Low	103 Å²	103	110.8 Å²	110.8	72%	0.72	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-58.3	140	172.2	-64.3	0	0	0	0	108.4	G52	G52-S54 PolarHBondContact O-N 3.45Å
55	K	69.7	Low	67.8	Low	140 Å²	140	106.8 Å²	106.8	61%	0.609	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-53	145	170.5	-66.5	-178.6	-179.8	-180	0	108.4	A57 V59 L60	K55-A57 PolarHBondContact O-N 3.19Å; K55-V59 HydrophobicContact CB-CB 4.28Å; K55-V59 HydrophobicContact CB-CG1 4.18Å; K55-V59 HydrophobicContact CD-CG1 4.07Å; K55-V59 HydrophobicContact CG-CG1 4.49Å; K55-L60 HydrophobicContact CB-CD2 4.05Å; K55-L60 HydrophobicContact CB-CG 4.15Å; K55-L60 HydrophobicContact CD-CD2 4.12Å
56	K	78.6	Confident	69.5	Low	166 Å²	166	110.8 Å²	110.8	72%	0.722	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-54.1	142	175.9	-65.4	-176.3	177.8	-177	0	108.7	H58 V59 L60	K56-H58 PolarHBondContact O-N 3.4Å; K56-H58 VanDerWaalsContact O-N 3.16Å; K56-V59 HydrophobicContact CB-CG2 4.04Å; K56-V59 WeakPolarHBondContact O-CA 3.28Å; K56-V59 VanDerWaalsContact O-CB 3.32Å; K56-V59 WeakPolarHBondContact O-CB 3.47Å; K56-V59 PolarHBondContact O-N 3.07Å; K56-L60 PolarHBondContact O-N 2.99Å
57	A	81	Confident	71.3	Confident	40 Å²	40	107.1 Å²	107.1	33%	0.331	58%	0.578	S	S	.	*	H	α-helix	trans	-52.6	-41.1	-177.1	0	0	0	0	0	112.4	K55 V59 L60 A61 A111	K55-A57 PolarHBondContact O-N 3.19Å; A57-V59 VanDerWaalsContact C-N 3.3Å; A57-V59 PolarHBondContact O-N 2.97Å; A57-L60 WeakPolarHBondContact O-CB 3.42Å; A57-L60 PolarHBondContact O-N 2.97Å; A57-L60 VanDerWaalsContact O-N 3.1Å; A57-A61 PolarHBondContact O-N 3.29Å; A57-A111 HydrophobicContact CB-CB 3.62Å
58	H	84.4	Confident	73	Confident	92 Å²	92	103.7 Å²	103.7	43%	0.426	55%	0.554	S	S	.	*	H	α-helix	trans	-61	-31.2	173.7	-59.6	-62.9	0	0	0	114.5	K56 A62 A111 D112	K56-H58 PolarHBondContact O-N 3.4Å; K56-H58 VanDerWaalsContact O-N 3.16Å; H58-A62 VanDerWaalsContact O-CB 3.25Å; H58-A62 WeakPolarHBondContact O-CB 3.4Å; H58-A62 PolarHBondContact O-N 2.8Å; H58-A111 WeakPolarHBondContact ND1-CB 3.36Å; H58-D112 IonicContact CE1-OD1 3.22Å; H58-D112 PolarHBondContact CE1-OD1 2.86Å; H58-D112 IonicContact NE2-OD1 3.17Å
59	V	84.4	Confident	74.8	Confident	72 Å²	72	103.9 Å²	103.9	44%	0.436	53%	0.531	S	S	.	.	H	α-helix	trans	-70.5	-35.5	175.6	175.9	0	0	0	0	110.7	K55 K56 A57 S63	K55-V59 HydrophobicContact CB-CB 4.28Å; K55-V59 HydrophobicContact CB-CG1 4.18Å; K55-V59 HydrophobicContact CD-CG1 4.07Å; K55-V59 HydrophobicContact CG-CG1 4.49Å; K56-V59 HydrophobicContact CB-CG2 4.04Å; K56-V59 WeakPolarHBondContact O-CA 3.28Å; K56-V59 VanDerWaalsContact O-CB 3.32Å; K56-V59 WeakPolarHBondContact O-CB 3.47Å; K56-V59 PolarHBondContact O-N 3.07Å; A57-V59 VanDerWaalsContact C-N 3.3Å; A57-V59 PolarHBondContact O-N 2.97Å; V59-S63 WeakPolarHBondContact O-CB 3.47Å; V59-S63 PolarHBondContact O-N 3.36Å
60	L	83.1	Confident	76.7	Confident	92 Å²	92	99.3 Å²	99.3	48%	0.482	52%	0.515	S	S	.	.	H	α-helix	trans	-71.1	-44.1	174.6	-64	175.2	0	0	0	111	K55 K56 A57 A62 S63 V64	K55-L60 HydrophobicContact CB-CD2 4.05Å; K55-L60 HydrophobicContact CB-CG 4.15Å; K55-L60 HydrophobicContact CD-CD2 4.12Å; K56-L60 PolarHBondContact O-N 2.99Å; A57-L60 WeakPolarHBondContact O-CB 3.42Å; A57-L60 PolarHBondContact O-N 2.97Å; A57-L60 VanDerWaalsContact O-N 3.1Å; L60-A62 PolarHBondContact O-N 3.28Å; L60-S63 WeakPolarHBondContact O-CB 3.39Å; L60-S63 PolarHBondContact O-N 3.36Å; L60-S63 VanDerWaalsContact O-N 3.14Å; L60-V64 WeakPolarHBondContact O-CG2 3.36Å; L60-V64 PolarHBondContact O-N 3.41Å
61	A	84.7	Confident	78.8	Confident	15 Å²	15	92.3 Å²	92.3	12%	0.124	48%	0.484	C	S	.	.	H	α-helix	trans	-58.2	-47.4	175.3	0	0	0	0	0	111.4	A57 S63 V64 E65	A57-A61 PolarHBondContact O-N 3.29Å; A61-S63 VanDerWaalsContact C-N 3.3Å; A61-S63 PolarHBondContact O-N 3.22Å; A61-V64 PolarHBondContact O-N 3.34Å; A61-E65 WeakPolarHBondContact O-CB 3.4Å; A61-E65 PolarHBondContact O-N 3.43Å
62	A	85	Confident	81.1	Confident	51 Å²	51	82.2 Å²	82.2	42%	0.421	44%	0.441	S	S	.	.	H	α-helix	trans	-62.6	-34.9	175.2	0	0	0	0	0	112.7	H58 L60 E65 Q66	H58-A62 VanDerWaalsContact O-CB 3.25Å; H58-A62 WeakPolarHBondContact O-CB 3.4Å; H58-A62 PolarHBondContact O-N 2.8Å; L60-A62 PolarHBondContact O-N 3.28Å; A62-E65 PolarHBondContact O-N 3.36Å; A62-Q66 WeakPolarHBondContact O-CB 3.5Å; A62-Q66 PolarHBondContact O-N 2.96Å
63	S	84.1	Confident	83.1	Confident	59 Å²	59	84.7 Å²	84.7	41%	0.413	44%	0.439	S	S	.	.	H	α-helix	trans	-68	-37.5	175.3	-173.7	0	0	0	0	112.5	V59 L60 A61 A67	V59-S63 WeakPolarHBondContact O-CB 3.47Å; V59-S63 PolarHBondContact O-N 3.36Å; L60-S63 WeakPolarHBondContact O-CB 3.39Å; L60-S63 PolarHBondContact O-N 3.36Å; L60-S63 VanDerWaalsContact O-N 3.14Å; A61-S63 VanDerWaalsContact C-N 3.3Å; A61-S63 PolarHBondContact O-N 3.22Å; S63-A67 WeakPolarHBondContact O-CB 3.45Å; S63-A67 PolarHBondContact O-N 3.09Å
64	V	84.2	Confident	85.1	Confident	55 Å²	55	78.3 Å²	78.3	33%	0.333	42%	0.419	S	S	.	.	H	α-helix	trans	-67	-46.7	174.5	172.6	0	0	0	0	109.6	L60 A61 Q66 A67 T68 M103	L60-V64 WeakPolarHBondContact O-CG2 3.36Å; L60-V64 PolarHBondContact O-N 3.41Å; A61-V64 PolarHBondContact O-N 3.34Å; V64-Q66 PolarHBondContact O-N 3.45Å; V64-A67 PolarHBondContact O-N 2.95Å; V64-T68 PolarHBondContact O-N 3.42Å; V64-T68 PolarHBondContact O-OG1 3.03Å; V64-M103 HydrophobicContact CG1-CE 4.48Å; V64-M103 HydrophobicContact CG1-CG 4.22Å
65	E	87.3	Confident	86.6	Confident	94 Å²	94	73.7 Å²	73.7	44%	0.439	39%	0.388	S	S	.	.	H	α-helix	trans	-55.5	-49.5	175.7	-178.7	179.9	176.6	0	0	111.6	A61 A62 A67 T68 Q69 R104	A61-E65 WeakPolarHBondContact O-CB 3.4Å; A61-E65 PolarHBondContact O-N 3.43Å; A62-E65 PolarHBondContact O-N 3.36Å; E65-A67 PolarHBondContact O-N 3.28Å; E65-T68 PolarHBondContact O-N 3.46Å; E65-Q69 WeakPolarHBondContact O-CB 3.43Å; E65-Q69 PolarHBondContact O-N 3.11Å; E65-R104 HydrophobicContact CB-CG 4.36Å; E65-R104 HydrophobicContact CG-CG 4.01Å; E65-R104 VanDerWaalsContact OE1-CD 3.25Å; E65-R104 WeakPolarHBondContact OE1-CD 3.48Å
66	Q	88.8	Confident	87.7	Confident	124 Å²	124	71 Å²	71	58%	0.579	38%	0.377	S	S	*	.	H	α-helix	trans	-62.2	-41.4	177.2	-172.5	-179.5	13	0	0	112.4	A62 V64 Q69 N70	A62-Q66 WeakPolarHBondContact O-CB 3.5Å; A62-Q66 PolarHBondContact O-N 2.96Å; V64-Q66 PolarHBondContact O-N 3.45Å; Q66-Q69 PolarHBondContact O-N 3.05Å; Q66-N70 VanDerWaalsContact O-CG 3.24Å; Q66-N70 PolarHBondContact O-N 3.22Å; Q66-N70 PolarHBondContact O-ND2 3.42Å
67	A	87.7	Confident	88.4	Confident	56 Å²	56	67 Å²	67	46%	0.463	36%	0.361	S	S	.	.	H	α-helix	trans	-66	-41.5	177.7	0	0	0	0	0	111.9	S63 V64 E65 Q69 N70 F71	S63-A67 WeakPolarHBondContact O-CB 3.45Å; S63-A67 PolarHBondContact O-N 3.09Å; V64-A67 PolarHBondContact O-N 2.95Å; E65-A67 PolarHBondContact O-N 3.28Å; A67-Q69 VanDerWaalsContact C-N 3.34Å; A67-N70 PolarHBondContact O-N 2.95Å; A67-F71 WeakPolarHBondContact O-CB 3.47Å; A67-F71 PolarHBondContact O-N 2.9Å
68	T	88.9	Confident	88.7	Confident	19 Å²	19	69 Å²	69	12%	0.117	37%	0.365	C	S	.	.	H	α-helix	trans	-63.1	-41.3	173.9	-56.8	0	0	0	0	110.9	V64 E65 F71 L72 L130	V64-T68 PolarHBondContact O-N 3.42Å; V64-T68 PolarHBondContact O-OG1 3.03Å; E65-T68 PolarHBondContact O-N 3.46Å; T68-F71 PolarHBondContact O-N 2.83Å; T68-L72 HydrophobicContact CG2-CD1 4.23Å; T68-L72 VanDerWaalsContact O-CG 3.31Å; T68-L72 WeakPolarHBondContact O-CG 3.44Å; T68-L72 PolarHBondContact O-N 2.94Å; T68-L130 HydrophobicContact CG2-CD1 4.32Å
69	Q	91.5	Very high	89.1	Confident	92 Å²	92	64.7 Å²	64.7	43%	0.43	35%	0.346	S	S	.	.	H	α-helix	trans	-63.2	-47	176.9	-173.4	57.6	33.9	0	0	112.1	E65 Q66 A67 F71 L72 E73	E65-Q69 WeakPolarHBondContact O-CB 3.43Å; E65-Q69 PolarHBondContact O-N 3.11Å; Q66-Q69 PolarHBondContact O-N 3.05Å; A67-Q69 VanDerWaalsContact C-N 3.34Å; Q69-F71 VanDerWaalsContact C-N 3.28Å; Q69-F71 PolarHBondContact O-N 2.86Å; Q69-L72 WeakPolarHBondContact O-CB 3.31Å; Q69-L72 PolarHBondContact O-N 3.33Å; Q69-E73 WeakPolarHBondContact O-CG 3.34Å; Q69-E73 PolarHBondContact O-N 2.77Å
70	N	91.5	Very high	89.4	Confident	81 Å²	81	69.2 Å²	69.2	43%	0.433	36%	0.359	S	S	.	.	H	α-helix	trans	-60.6	-38.5	175.7	-69.1	-15.3	0	0	0	112	Q66 A67 K74	Q66-N70 VanDerWaalsContact O-CG 3.24Å; Q66-N70 PolarHBondContact O-N 3.22Å; Q66-N70 PolarHBondContact O-ND2 3.42Å; A67-N70 PolarHBondContact O-N 2.95Å; N70-K74 WeakPolarHBondContact O-CG 3.46Å; N70-K74 PolarHBondContact O-N 2.96Å
71	F	91.8	Very high	89.6	Confident	59 Å²	59	71.2 Å²	71.2	26%	0.259	37%	0.366	S	S	.	.	H	α-helix	trans	-67	-40.3	176.6	-177.3	-100.9	0	0	0	111.8	A67 T68 Q69 K74 G75 V96 V134 L137 L138	A67-F71 WeakPolarHBondContact O-CB 3.47Å; A67-F71 PolarHBondContact O-N 2.9Å; T68-F71 PolarHBondContact O-N 2.83Å; Q69-F71 VanDerWaalsContact C-N 3.28Å; Q69-F71 PolarHBondContact O-N 2.86Å; F71-K74 PolarHBondContact O-N 3.3Å; F71-G75 PolarHBondContact O-N 3.15Å; F71-V96 HydrophobicContact CD1-CG1 3.98Å; F71-V96 HydrophobicContact CE1-CG1 4.11Å; F71-V96 HydrophobicContact CE1-CG2 4.31Å; F71-V134 HydrophobicContact CD1-CG2 4.24Å; F71-V134 HydrophobicContact CE1-CB 4.24Å; F71-V134 HydrophobicContact CE1-CG1 4.04Å; F71-V134 HydrophobicContact CE1-CG2 3.81Å; F71-V134 HydrophobicContact CE2-CG1 4.25Å; F71-V134 HydrophobicContact CZ-CB 4.37Å; F71-V134 HydrophobicContact CZ-CG1 3.73Å; F71-V134 HydrophobicContact CZ-CG2 4.36Å; F71-L137 HydrophobicContact CE1-CD2 3.63Å; F71-L137 HydrophobicContact CE1-CG 4.45Å; F71-L137 HydrophobicContact CZ-CD2 3.94Å; F71-L137 HydrophobicContact CZ-CG 4.36Å; F71-L138 HydrophobicContact CE2-CD2 4.04Å; F71-L138 HydrophobicContact CE2-CG 4.43Å; F71-L138 HydrophobicContact CZ-CD2 4.25Å; F71-L138 HydrophobicContact CZ-CG 4.27Å
72	L	93.7	Very high	89.6	Confident	5 Å²	5	71.4 Å²	71.4	3%	0.026	37%	0.367	C	S	.	.	H	α-helix	trans	-62.1	-46	173.6	-74.2	169.1	0	0	0	111.7	T68 Q69 K74 G75 E76 V93 V96 R97	T68-L72 HydrophobicContact CG2-CD1 4.23Å; T68-L72 VanDerWaalsContact O-CG 3.31Å; T68-L72 WeakPolarHBondContact O-CG 3.44Å; T68-L72 PolarHBondContact O-N 2.94Å; Q69-L72 WeakPolarHBondContact O-CB 3.31Å; Q69-L72 PolarHBondContact O-N 3.33Å; L72-K74 VanDerWaalsContact C-N 3.27Å; L72-K74 PolarHBondContact O-N 3.39Å; L72-G75 PolarHBondContact O-N 3.07Å; L72-G75 VanDerWaalsContact O-N 3.15Å; L72-E76 WeakPolarHBondContact O-CB 3.29Å; L72-E76 VanDerWaalsContact O-CG 3.29Å; L72-E76 WeakPolarHBondContact O-CG 3.38Å; L72-E76 PolarHBondContact O-N 3.49Å; L72-V93 HydrophobicContact CD2-CG1 4.02Å; L72-V93 WeakPolarHBondContact CD2-O 3.48Å; L72-V96 HydrophobicContact CD2-CB 3.96Å; L72-V96 HydrophobicContact CD2-CG1 3.72Å; L72-V96 HydrophobicContact CG-CG1 4.25Å; L72-R97 HydrophobicContact CD1-CB 4.08Å; L72-R97 HydrophobicContact CD1-CG 4.11Å; L72-R97 HydrophobicContact CD2-CB 3.95Å
73	E	93.3	Very high	89.6	Confident	102 Å²	102	77.7 Å²	77.7	48%	0.477	39%	0.388	S	S	.	.	H	α-helix	trans	-56.9	-41.9	177.3	-72.8	173	-167.6	0	0	112	Q69 Q77	Q69-E73 WeakPolarHBondContact O-CG 3.34Å; Q69-E73 PolarHBondContact O-N 2.77Å; E73-Q77 WeakPolarHBondContact O-CB 3.41Å; E73-Q77 PolarHBondContact O-N 2.82Å; E73-Q77 VanDerWaalsContact O-N 3.07Å
74	K	91.4	Very high	89.5	Confident	127 Å²	127	77.1 Å²	77.1	55%	0.552	38%	0.38	S	S	*	.	H	α-helix	trans	-71	-41.5	175.5	-67.8	-63.4	177.1	-169.4	0	112.7	N70 F71 L72 Q77 I78	N70-K74 WeakPolarHBondContact O-CG 3.46Å; N70-K74 PolarHBondContact O-N 2.96Å; F71-K74 PolarHBondContact O-N 3.3Å; L72-K74 VanDerWaalsContact C-N 3.27Å; L72-K74 PolarHBondContact O-N 3.39Å; K74-Q77 PolarHBondContact O-N 3.41Å; K74-I78 VanDerWaalsContact O-CG1 3.31Å; K74-I78 WeakPolarHBondContact O-CG1 3.22Å; K74-I78 PolarHBondContact O-N 3.21Å
75	G	92.5	Very high	89.6	Confident	7 Å²	7	75.8 Å²	75.8	7%	0.072	37%	0.371	C	S	.	.	H	α-helix	trans	-61	-43.8	175.3	0	0	0	0	0	112.4	F71 L72 I78 A79	F71-G75 PolarHBondContact O-N 3.15Å; L72-G75 PolarHBondContact O-N 3.07Å; L72-G75 VanDerWaalsContact O-N 3.15Å; G75-I78 PolarHBondContact O-N 2.59Å; G75-A79 VanDerWaalsContact O-CB 3.22Å; G75-A79 WeakPolarHBondContact O-CB 3.49Å; G75-A79 PolarHBondContact O-N 2.64Å
76	E	94.1	Very high	89.6	Confident	82 Å²	82	76.2 Å²	76.2	38%	0.383	37%	0.371	S	S	.	.	H	α-helix	trans	-62.5	-43.4	174.9	-74.1	175.8	-162.8	0	0	111.7	L72 A79 K80 V93 R97	L72-E76 WeakPolarHBondContact O-CB 3.29Å; L72-E76 VanDerWaalsContact O-CG 3.29Å; L72-E76 WeakPolarHBondContact O-CG 3.38Å; L72-E76 PolarHBondContact O-N 3.49Å; E76-A79 PolarHBondContact O-N 3.01Å; E76-K80 VanDerWaalsContact O-CB 3.24Å; E76-K80 WeakPolarHBondContact O-CB 3.43Å; E76-K80 PolarHBondContact O-N 2.85Å; E76-V93 HydrophobicContact CG-CG1 3.67Å; E76-R97 IonicContact OE1-CZ 3.66Å; E76-R97 IonicContact OE1-NH2 2.79Å; E76-R97 PolarHBondContact OE1-NH2 3.32Å
77	Q	92.6	Very high	89.7	Confident	83 Å²	83	78 Å²	78	39%	0.388	38%	0.38	S	S	.	.	H	α-helix	trans	-59.7	-51.3	175.8	-176.1	-178.9	-0.3	0	0	111	E73 K74 K80 E81	E73-Q77 WeakPolarHBondContact O-CB 3.41Å; E73-Q77 PolarHBondContact O-N 2.82Å; E73-Q77 VanDerWaalsContact O-N 3.07Å; K74-Q77 PolarHBondContact O-N 3.41Å; Q77-K80 PolarHBondContact O-N 3.24Å; Q77-E81 VanDerWaalsContact CG-OE1 3.26Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.5Å; Q77-E81 PolarHBondContact NE2-OE1 2.91Å; Q77-E81 WeakPolarHBondContact O-CB 3.19Å; Q77-E81 WeakPolarHBondContact O-CG 3.38Å; Q77-E81 PolarHBondContact O-N 3.08Å
78	I	88.7	Confident	89.8	Confident	81 Å²	81	78.9 Å²	78.9	42%	0.415	37%	0.374	S	S	.	.	H	α-helix	trans	-61.9	-46.6	179.5	-67.8	167	0	0	0	110.5	K74 G75 K80 E81 S82	K74-I78 VanDerWaalsContact O-CG1 3.31Å; K74-I78 WeakPolarHBondContact O-CG1 3.22Å; K74-I78 PolarHBondContact O-N 3.21Å; G75-I78 PolarHBondContact O-N 2.59Å; I78-K80 VanDerWaalsContact C-N 3.26Å; I78-K80 PolarHBondContact O-N 3.43Å; I78-E81 PolarHBondContact O-N 2.72Å; I78-S82 WeakPolarHBondContact O-CB 3.5Å; I78-S82 PolarHBondContact O-N 2.71Å
79	A	91	Very high	90	Very high	2 Å²	2	78 Å²	78	2%	0.017	37%	0.369	C	S	.	.	H	α-helix	trans	-61.4	-35.2	178.4	0	0	0	0	0	112.3	G75 E76 L89 V90 V93	G75-A79 VanDerWaalsContact O-CB 3.22Å; G75-A79 WeakPolarHBondContact O-CB 3.49Å; G75-A79 PolarHBondContact O-N 2.64Å; E76-A79 PolarHBondContact O-N 3.01Å; A79-L89 HydrophobicContact CB-CB 3.8Å; A79-V90 HydrophobicContact CB-CG2 4.02Å; A79-V93 HydrophobicContact CB-CG2 4.44Å
80	K	90.6	Very high	90.1	Very high	167 Å²	167	76.6 Å²	76.6	73%	0.726	37%	0.366	S	S	*	.	H	α-helix	trans	-71.3	-40.8	176.8	-175.2	-179.6	179.1	-177.5	0	112.4	E76 Q77 I78	E76-K80 VanDerWaalsContact O-CB 3.24Å; E76-K80 WeakPolarHBondContact O-CB 3.43Å; E76-K80 PolarHBondContact O-N 2.85Å; Q77-K80 PolarHBondContact O-N 3.24Å; I78-K80 VanDerWaalsContact C-N 3.26Å; I78-K80 PolarHBondContact O-N 3.43Å
81	E	88.3	Confident	90.3	Very high	134 Å²	134	74.9 Å²	74.9	63%	0.626	36%	0.363	S	S	*	.	H	α-helix	trans	-77.6	-21.6	179.6	-70.3	174.1	-166.7	0	0	112.6	Q77 I78 Q83	Q77-E81 VanDerWaalsContact CG-OE1 3.26Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.5Å; Q77-E81 PolarHBondContact NE2-OE1 2.91Å; Q77-E81 WeakPolarHBondContact O-CB 3.19Å; Q77-E81 WeakPolarHBondContact O-CG 3.38Å; Q77-E81 PolarHBondContact O-N 3.08Å; I78-E81 PolarHBondContact O-N 2.72Å; E81-Q83 PolarHBondContact O-N 2.64Å
82	S	85.6	Confident	90.3	Very high	20 Å²	20	72.1 Å²	72.1	14%	0.14	35%	0.352	C	S	.	.			trans	-68.5	128.3	-179.9	-156.3	0	0	0	0	111.8	I78 D84	I78-S82 WeakPolarHBondContact O-CB 3.5Å; I78-S82 PolarHBondContact O-N 2.71Å; S82-D84 WeakPolarHBondContact CB-O 3.46Å; S82-D84 PolarHBondContact OG-O 2.94Å
83	Q	84.4	Confident	90.5	Very high	183 Å²	183	72.1 Å²	72.1	86%	0.855	35%	0.351	S	S	*	.	S	Bend	trans	-83.8	-32	170.5	-64.4	-178	-7.3	0	0	110.9	E81	E81-Q83 PolarHBondContact O-N 2.64Å
84	D	82.4	Confident	90.6	Very high	47 Å²	47	71.9 Å²	71.9	25%	0.251	35%	0.35	S	S	.	.	S	Bend	trans	-105.1	148.9	-178	-59.1	-62	0	0	0	111	S82 K86 M147	S82-D84 WeakPolarHBondContact CB-O 3.46Å; S82-D84 PolarHBondContact OG-O 2.94Å; D84-K86 PolarHBondContact O-N 3.23Å; D84-M147 HydrophobicContact CB-CB 4.05Å; D84-M147 HydrophobicContact CB-CE 3.67Å; D84-M147 HydrophobicContact CB-SD 3.81Å; D84-M147 WeakPolarHBondContact OD1-CE 3.46Å
85	L	84.7	Confident	90.8	Very high	26 Å²	26	69 Å²	69	14%	0.136	34%	0.341	C	S	.	.	S	Bend	trans	52.9	25.6	179.2	-58	174.9	0	0	0	114.6	E87 E88 L89 M143 M147	L85-E87 VanDerWaalsContact C-N 3.33Å; L85-E87 PolarHBondContact O-N 2.66Å; L85-E88 VanDerWaalsContact C-OE2 3.25Å; L85-E88 VanDerWaalsContact CA-OE2 3.23Å; L85-E88 WeakPolarHBondContact CA-OE2 3.49Å; L85-E88 HydrophobicContact CB-CB 4.46Å; L85-E88 PolarHBondContact O-N 2.84Å; L85-L89 HydrophobicContact CB-CG 4.47Å; L85-L89 WeakPolarHBondContact O-CB 3.35Å; L85-L89 VanDerWaalsContact O-CG 3.29Å; L85-L89 WeakPolarHBondContact O-CG 3.47Å; L85-L89 PolarHBondContact O-N 2.9Å; L85-M143 HydrophobicContact CD1-CB 3.63Å; L85-M143 HydrophobicContact CD1-CE 4.1Å; L85-M147 HydrophobicContact CD1-SD 3.93Å; L85-M147 HydrophobicContact CD2-SD 4.09Å; L85-M147 HydrophobicContact CG-SD 3.65Å
86	K	88.7	Confident	90.9	Very high	103 Å²	103	68.7 Å²	68.7	45%	0.448	34%	0.338	S	S	.	.	H	α-helix	trans	-59.8	-43.7	-173.4	179.2	168.5	-175.9	169.5	0	111.9	D84 V90	D84-K86 PolarHBondContact O-N 3.23Å; K86-V90 WeakPolarHBondContact O-CB 3.49Å; K86-V90 WeakPolarHBondContact O-CG2 3.24Å; K86-V90 PolarHBondContact O-N 3.33Å
87	E	90.4	Very high	91.1	Very high	162 Å²	162	68.5 Å²	68.5	76%	0.757	33%	0.334	S	S	*	.	H	α-helix	trans	-67.2	-41.5	-179.5	-64.1	-176	178.9	0	0	111.3	L85 V90 A91	L85-E87 VanDerWaalsContact C-N 3.33Å; L85-E87 PolarHBondContact O-N 2.66Å; E87-V90 PolarHBondContact O-N 3.18Å; E87-A91 VanDerWaalsContact O-CB 3.32Å; E87-A91 WeakPolarHBondContact O-CB 3.44Å; E87-A91 PolarHBondContact O-N 3.06Å
88	E	90.6	Very high	91.3	Very high	74 Å²	74	71.1 Å²	71.1	35%	0.346	34%	0.344	S	S	.	.	H	α-helix	trans	-67.2	-41.5	178.1	-64.2	85.7	165.6	0	0	112.2	L85 A91 A92 L140	L85-E88 VanDerWaalsContact C-OE2 3.25Å; L85-E88 VanDerWaalsContact CA-OE2 3.23Å; L85-E88 WeakPolarHBondContact CA-OE2 3.49Å; L85-E88 HydrophobicContact CB-CB 4.46Å; L85-E88 PolarHBondContact O-N 2.84Å; E88-A91 PolarHBondContact O-N 3.47Å; E88-A92 WeakPolarHBondContact O-CB 3.11Å; E88-A92 PolarHBondContact O-N 3.17Å; E88-L140 HydrophobicContact CB-CD1 4.31Å; E88-L140 HydrophobicContact CB-CD2 4.12Å
89	L	92.8	Very high	91.6	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-64.3	-46.8	174.9	-76	169	0	0	0	110.9	A79 L85 A91 A92 V93 L137 L140 A144	A79-L89 HydrophobicContact CB-CB 3.8Å; L85-L89 HydrophobicContact CB-CG 4.47Å; L85-L89 WeakPolarHBondContact O-CB 3.35Å; L85-L89 VanDerWaalsContact O-CG 3.29Å; L85-L89 WeakPolarHBondContact O-CG 3.47Å; L85-L89 PolarHBondContact O-N 2.9Å; L89-A91 VanDerWaalsContact C-N 3.34Å; L89-A91 PolarHBondContact O-N 3.04Å; L89-A92 PolarHBondContact O-N 2.96Å; L89-V93 VanDerWaalsContact O-CG2 3.29Å; L89-V93 WeakPolarHBondContact O-CG2 3.33Å; L89-V93 PolarHBondContact O-N 3.25Å; L89-L137 HydrophobicContact CD2-CD1 3.81Å; L89-L140 HydrophobicContact CD2-CB 3.66Å; L89-L140 HydrophobicContact CG-CB 4.43Å; L89-A144 HydrophobicContact CD1-CB 4.37Å
90	V	94.1	Very high	91.8	Very high	63 Å²	63	69.8 Å²	69.8	38%	0.382	34%	0.338	S	S	.	.	H	α-helix	trans	-59.3	-46.9	175.5	169.4	0	0	0	0	110.3	A79 K86 E87 A92 V93 E94	A79-V90 HydrophobicContact CB-CG2 4.02Å; K86-V90 WeakPolarHBondContact O-CB 3.49Å; K86-V90 WeakPolarHBondContact O-CG2 3.24Å; K86-V90 PolarHBondContact O-N 3.33Å; E87-V90 PolarHBondContact O-N 3.18Å; V90-A92 VanDerWaalsContact C-N 3.33Å; V90-A92 PolarHBondContact O-N 3.06Å; V90-V93 WeakPolarHBondContact O-CB 3.48Å; V90-V93 PolarHBondContact O-N 3.5Å; V90-E94 WeakPolarHBondContact O-CG 3.32Å; V90-E94 PolarHBondContact O-N 3.39Å
91	A	93.9	Very high	92	Very high	44 Å²	44	65.8 Å²	65.8	36%	0.364	32%	0.322	S	S	.	.	H	α-helix	trans	-61.2	-40.3	177.3	0	0	0	0	0	112.5	E87 E88 L89 E94 D95	E87-A91 VanDerWaalsContact O-CB 3.32Å; E87-A91 WeakPolarHBondContact O-CB 3.44Å; E87-A91 PolarHBondContact O-N 3.06Å; E88-A91 PolarHBondContact O-N 3.47Å; L89-A91 VanDerWaalsContact C-N 3.34Å; L89-A91 PolarHBondContact O-N 3.04Å; A91-E94 PolarHBondContact O-N 3.48Å; A91-D95 PolarHBondContact O-N 3.38Å
92	A	93.5	Very high	92.4	Very high	2 Å²	2	62.4 Å²	62.4	2%	0.017	31%	0.31	C	S	.	.	H	α-helix	trans	-67.6	-36.2	176.2	0	0	0	0	0	112.6	E88 L89 V90 D95 V96 L137 L140	E88-A92 WeakPolarHBondContact O-CB 3.11Å; E88-A92 PolarHBondContact O-N 3.17Å; L89-A92 PolarHBondContact O-N 2.96Å; V90-A92 VanDerWaalsContact C-N 3.33Å; V90-A92 PolarHBondContact O-N 3.06Å; A92-D95 PolarHBondContact O-N 3.22Å; A92-V96 VanDerWaalsContact O-CG2 3.3Å; A92-V96 WeakPolarHBondContact O-CG2 3.44Å; A92-V96 PolarHBondContact O-N 3.4Å; A92-L137 HydrophobicContact CB-CB 4.18Å; A92-L137 HydrophobicContact CB-CD1 4.01Å; A92-L140 HydrophobicContact CB-CD1 3.57Å
93	V	96.2	Very high	92.8	Very high	4 Å²	4	62.2 Å²	62.2	2%	0.024	31%	0.308	C	S	.	.	H	α-helix	trans	-63.6	-43.8	171.8	169.9	0	0	0	0	110.8	L72 E76 A79 L89 V90 D95 V96 R97 L137	L72-V93 HydrophobicContact CD2-CG1 4.02Å; L72-V93 WeakPolarHBondContact CD2-O 3.48Å; E76-V93 HydrophobicContact CG-CG1 3.67Å; A79-V93 HydrophobicContact CB-CG2 4.44Å; L89-V93 VanDerWaalsContact O-CG2 3.29Å; L89-V93 WeakPolarHBondContact O-CG2 3.33Å; L89-V93 PolarHBondContact O-N 3.25Å; V90-V93 WeakPolarHBondContact O-CB 3.48Å; V90-V93 PolarHBondContact O-N 3.5Å; V93-D95 VanDerWaalsContact C-N 3.33Å; V93-D95 PolarHBondContact O-N 3.21Å; V93-V96 PolarHBondContact O-N 3.4Å; V93-R97 PolarHBondContact O-N 3.31Å; V93-L137 HydrophobicContact CG2-CD1 3.93Å; V93-L137 HydrophobicContact CG2-CD2 3.77Å
94	E	96.3	Very high	93.2	Very high	97 Å²	97	57.6 Å²	57.6	45%	0.453	28%	0.282	S	S	.	.	H	α-helix	trans	-59.8	-42.4	173.7	-67.8	-53.2	128	0	0	112.1	V90 A91 R97 K98	V90-E94 WeakPolarHBondContact O-CG 3.32Å; V90-E94 PolarHBondContact O-N 3.39Å; A91-E94 PolarHBondContact O-N 3.48Å; E94-R97 WeakPolarHBondContact O-CB 3.25Å; E94-R97 PolarHBondContact O-N 3.47Å; E94-R97 IonicContact OE1-CZ 3.4Å; E94-R97 IonicContact OE1-NH1 3.68Å; E94-R97 PolarHBondContact OE1-NH1 2.87Å; E94-R97 IonicContact OE1-NH2 2.63Å; E94-R97 IonicContact OE2-CZ 2.91Å; E94-R97 IonicContact OE2-NH1 3.72Å; E94-R97 PolarHBondContact OE2-NH1 2.88Å; E94-K98 PolarHBondContact O-N 3.18Å
95	D	95.6	Very high	93.8	Very high	68 Å²	68	58.6 Å²	58.6	36%	0.364	29%	0.287	S	S	.	.	H	α-helix	trans	-61.8	-45.9	175.7	-79.2	-25.3	0	0	0	111.4	A91 A92 V93 R97 K98 Q99 R136	A91-D95 PolarHBondContact O-N 3.38Å; A92-D95 PolarHBondContact O-N 3.22Å; V93-D95 VanDerWaalsContact C-N 3.33Å; V93-D95 PolarHBondContact O-N 3.21Å; D95-R97 VanDerWaalsContact C-N 3.29Å; D95-R97 PolarHBondContact O-N 3.24Å; D95-K98 PolarHBondContact O-N 2.92Å; D95-Q99 WeakPolarHBondContact O-CG 3.34Å; D95-Q99 PolarHBondContact O-N 3.22Å; D95-R136 IonicContact OD2-NH1 2.62Å
96	V	95.7	Very high	94.2	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.7	-39.8	175.3	174.5	0	0	0	0	110.7	F71 L72 A92 V93 Q99 G100 L130 A133 V134 L137	F71-V96 HydrophobicContact CD1-CG1 3.98Å; F71-V96 HydrophobicContact CE1-CG1 4.11Å; F71-V96 HydrophobicContact CE1-CG2 4.31Å; L72-V96 HydrophobicContact CD2-CB 3.96Å; L72-V96 HydrophobicContact CD2-CG1 3.72Å; L72-V96 HydrophobicContact CG-CG1 4.25Å; A92-V96 VanDerWaalsContact O-CG2 3.3Å; A92-V96 WeakPolarHBondContact O-CG2 3.44Å; A92-V96 PolarHBondContact O-N 3.4Å; V93-V96 PolarHBondContact O-N 3.4Å; V96-Q99 PolarHBondContact O-N 3.12Å; V96-G100 WeakPolarHBondContact O-CA 3.46Å; V96-G100 PolarHBondContact O-N 3.31Å; V96-L130 HydrophobicContact CG1-CD1 4.11Å; V96-A133 HydrophobicContact CB-CB 4.48Å; V96-A133 HydrophobicContact CG2-CB 3.73Å; V96-A133 WeakPolarHBondContact CG2-O 3.5Å; V96-V134 HydrophobicContact CG1-CG2 4.27Å; V96-V134 HydrophobicContact CG2-CG2 4.41Å; V96-L137 HydrophobicContact CG2-CB 4.3Å; V96-L137 HydrophobicContact CG2-CD2 4.22Å
97	R	96.9	Very high	94.4	Very high	78 Å²	78	53 Å²	53	29%	0.294	26%	0.264	S	S	.	.	H	α-helix	trans	-63.3	-46.2	177.4	-171.3	-179.3	-60.7	95.6	-3.9	111.4	L72 E76 V93 E94 D95 G100 E101	L72-R97 HydrophobicContact CD1-CB 4.08Å; L72-R97 HydrophobicContact CD1-CG 4.11Å; L72-R97 HydrophobicContact CD2-CB 3.95Å; E76-R97 IonicContact OE1-CZ 3.66Å; E76-R97 IonicContact OE1-NH2 2.79Å; E76-R97 PolarHBondContact OE1-NH2 3.32Å; V93-R97 PolarHBondContact O-N 3.31Å; E94-R97 WeakPolarHBondContact O-CB 3.25Å; E94-R97 PolarHBondContact O-N 3.47Å; E94-R97 IonicContact OE1-CZ 3.4Å; E94-R97 IonicContact OE1-NH1 3.68Å; E94-R97 PolarHBondContact OE1-NH1 2.87Å; E94-R97 IonicContact OE1-NH2 2.63Å; E94-R97 IonicContact OE2-CZ 2.91Å; E94-R97 IonicContact OE2-NH1 3.72Å; E94-R97 PolarHBondContact OE2-NH1 2.88Å; D95-R97 VanDerWaalsContact C-N 3.29Å; D95-R97 PolarHBondContact O-N 3.24Å; R97-G100 PolarHBondContact O-N 3.42Å; R97-E101 PolarHBondContact O-N 3.3Å
98	K	97.4	Very high	94.4	Very high	137 Å²	137	47.5 Å²	47.5	60%	0.596	24%	0.242	S	C	*	.	H	α-helix	trans	-61.9	-46.3	177.3	-179.3	-177.4	176.4	-177.7	0	112.3	E94 D95 G100 T102	E94-K98 PolarHBondContact O-N 3.18Å; D95-K98 PolarHBondContact O-N 2.92Å; K98-G100 VanDerWaalsContact C-N 3.33Å; K98-T102 PolarHBondContact O-N 3.45Å; K98-T102 VanDerWaalsContact O-N 3.13Å; K98-T102 PolarHBondContact O-OG1 3.41Å
99	Q	95.8	Very high	94.5	Very high	46 Å²	46	47.9 Å²	47.9	22%	0.215	24%	0.244	C	C	.	.	H	α-helix	trans	-69.8	-33.2	177.1	-60.6	-48	-38	0	0	111.8	D95 V96 T102 M103 A129 L130 A133	D95-Q99 WeakPolarHBondContact O-CG 3.34Å; D95-Q99 PolarHBondContact O-N 3.22Å; V96-Q99 PolarHBondContact O-N 3.12Å; Q99-T102 PolarHBondContact O-N 2.86Å; Q99-M103 WeakPolarHBondContact O-CB 3.31Å; Q99-M103 PolarHBondContact O-N 3.47Å; Q99-A129 HydrophobicContact CG-CB 4.26Å; Q99-A129 VanDerWaalsContact OE1-CB 3.24Å; Q99-L130 HydrophobicContact CB-CB 4.17Å; Q99-L130 HydrophobicContact CB-CD1 4.13Å; Q99-A133 HydrophobicContact CB-CB 4.46Å; Q99-A133 HydrophobicContact CG-CB 4.08Å
100	G	94.1	Very high	94.4	Very high	10 Å²	10	49.8 Å²	49.8	10%	0.103	25%	0.253	C	S	.	.	H	α-helix	trans	-61.1	-46.5	174	0	0	0	0	0	112.1	V96 R97 K98 M103 R104	V96-G100 WeakPolarHBondContact O-CA 3.46Å; V96-G100 PolarHBondContact O-N 3.31Å; R97-G100 PolarHBondContact O-N 3.42Å; K98-G100 VanDerWaalsContact C-N 3.33Å; G100-M103 PolarHBondContact O-N 2.67Å; G100-R104 WeakPolarHBondContact O-CB 3.43Å; G100-R104 PolarHBondContact O-N 3.09Å
101	E	95.5	Very high	94.2	Very high	83 Å²	83	47.3 Å²	47.3	39%	0.388	24%	0.239	S	C	.	.	H	α-helix	trans	-64.6	-41.9	176.1	179.8	56.2	-160.8	0	0	111.9	R97 M103 R104 I105	R97-E101 PolarHBondContact O-N 3.3Å; E101-M103 VanDerWaalsContact C-N 3.29Å; E101-M103 PolarHBondContact O-N 3.44Å; E101-R104 WeakPolarHBondContact O-CB 3.28Å; E101-R104 PolarHBondContact O-N 3.03Å; E101-R104 IonicContact OE1-CZ 3.51Å; E101-R104 IonicContact OE1-NE 2.66Å; E101-R104 PolarHBondContact OE1-NE 3.23Å; E101-R104 IonicContact OE1-NH2 2.72Å; E101-R104 PolarHBondContact OE1-NH2 3.23Å; E101-R104 IonicContact OE2-CZ 3.87Å; E101-R104 IonicContact OE2-NE 2.64Å; E101-R104 PolarHBondContact OE2-NE 2.71Å; E101-R104 IonicContact OE2-NH2 3.57Å; E101-I105 HydrophobicContact CG-CD1 4.32Å; E101-I105 WeakPolarHBondContact O-CG1 3.46Å; E101-I105 PolarHBondContact O-N 3.01Å
102	T	96.2	Very high	94.1	Very high	62 Å²	62	50.3 Å²	50.3	38%	0.38	25%	0.249	S	C	.	.	H	α-helix	trans	-60.4	-41.8	174.1	-55.1	0	0	0	0	111.2	K98 Q99 A106 A126	K98-T102 PolarHBondContact O-N 3.45Å; K98-T102 VanDerWaalsContact O-N 3.13Å; K98-T102 PolarHBondContact O-OG1 3.41Å; Q99-T102 PolarHBondContact O-N 2.86Å; T102-A106 VanDerWaalsContact O-CB 3.27Å; T102-A106 WeakPolarHBondContact O-CB 3.23Å; T102-A106 PolarHBondContact O-N 3.14Å; T102-A126 HydrophobicContact CG2-CB 4.09Å
103	M	94.1	Very high	93.9	Very high	17 Å²	17	53.1 Å²	53.1	8%	0.084	26%	0.264	C	S	.	.	H	α-helix	trans	-67.5	-38.3	176.8	-175.9	58.3	-177.7	0	0	112	V64 Q99 G100 E101 S107 M123 A126 A127 L130	V64-M103 HydrophobicContact CG1-CE 4.48Å; V64-M103 HydrophobicContact CG1-CG 4.22Å; Q99-M103 WeakPolarHBondContact O-CB 3.31Å; Q99-M103 PolarHBondContact O-N 3.47Å; G100-M103 PolarHBondContact O-N 2.67Å; E101-M103 VanDerWaalsContact C-N 3.29Å; E101-M103 PolarHBondContact O-N 3.44Å; M103-S107 WeakPolarHBondContact CE-OG 3.32Å; M103-S107 WeakPolarHBondContact O-CB 3.21Å; M103-S107 PolarHBondContact O-N 3.45Å; M103-S107 PolarHBondContact O-OG 3.24Å; M103-M123 HydrophobicContact CE-CG 4.03Å; M103-M123 HydrophobicContact SD-CG 4.27Å; M103-A126 HydrophobicContact CB-CB 4.29Å; M103-A126 HydrophobicContact SD-CB 3.89Å; M103-A127 HydrophobicContact CE-CB 3.86Å; M103-A127 HydrophobicContact SD-CB 3.93Å; M103-L130 HydrophobicContact CB-CD2 3.97Å; M103-L130 HydrophobicContact CG-CD2 3.91Å
104	R	93.4	Very high	93.3	Very high	85 Å²	85	56.5 Å²	56.5	32%	0.321	29%	0.286	S	S	.	.	H	α-helix	trans	-60	-50.6	175.9	-170.3	-166.9	68.4	76.3	2.8	111.2	E65 G100 E101 S108	E65-R104 HydrophobicContact CB-CG 4.36Å; E65-R104 HydrophobicContact CG-CG 4.01Å; E65-R104 VanDerWaalsContact OE1-CD 3.25Å; E65-R104 WeakPolarHBondContact OE1-CD 3.48Å; G100-R104 WeakPolarHBondContact O-CB 3.43Å; G100-R104 PolarHBondContact O-N 3.09Å; E101-R104 WeakPolarHBondContact O-CB 3.28Å; E101-R104 PolarHBondContact O-N 3.03Å; E101-R104 IonicContact OE1-CZ 3.51Å; E101-R104 IonicContact OE1-NE 2.66Å; E101-R104 PolarHBondContact OE1-NE 3.23Å; E101-R104 IonicContact OE1-NH2 2.72Å; E101-R104 PolarHBondContact OE1-NH2 3.23Å; E101-R104 IonicContact OE2-CZ 3.87Å; E101-R104 IonicContact OE2-NE 2.64Å; E101-R104 PolarHBondContact OE2-NE 2.71Å; E101-R104 IonicContact OE2-NH2 3.57Å; R104-S108 WeakPolarHBondContact O-CB 3.5Å; R104-S108 PolarHBondContact O-N 3.44Å
105	I	95	Very high	92.8	Very high	69 Å²	69	57.8 Å²	57.8	35%	0.354	30%	0.304	S	S	.	.	H	α-helix	trans	-61.8	-53	177.5	-63.6	168	0	0	0	110.3	E101 S107 S108 E109	E101-I105 HydrophobicContact CG-CD1 4.32Å; E101-I105 WeakPolarHBondContact O-CG1 3.46Å; E101-I105 PolarHBondContact O-N 3.01Å; I105-S107 VanDerWaalsContact C-N 3.3Å; I105-S107 PolarHBondContact O-N 3.07Å; I105-S108 PolarHBondContact O-N 3.05Å; I105-S108 VanDerWaalsContact O-N 3.11Å; I105-E109 HydrophobicContact CG2-CG 4.33Å; I105-E109 WeakPolarHBondContact O-CG 3.48Å; I105-E109 PolarHBondContact O-N 3.11Å
106	A	93.1	Very high	92.4	Very high	3 Å²	3	55.9 Å²	55.9	3%	0.025	30%	0.296	C	S	.	.	H	α-helix	trans	-62.8	-36	-176.9	0	0	0	0	0	112.8	T102 F110 T122 M123 A126	T102-A106 VanDerWaalsContact O-CB 3.27Å; T102-A106 WeakPolarHBondContact O-CB 3.23Å; T102-A106 PolarHBondContact O-N 3.14Å; A106-F110 VanDerWaalsContact O-CB 3.32Å; A106-F110 WeakPolarHBondContact O-CB 3.47Å; A106-F110 PolarHBondContact O-N 3.37Å; A106-F110 VanDerWaalsContact O-N 3.09Å; A106-T122 HydrophobicContact CB-CG2 4.08Å; A106-M123 HydrophobicContact CB-CB 4.3Å; A106-A126 HydrophobicContact CB-CB 4.05Å
107	S	90.9	Very high	92	Very high	9 Å²	9	60.5 Å²	60.5	6%	0.063	33%	0.328	C	S	.	.	H	α-helix	trans	-70.2	-37	175.6	-59.7	0	0	0	0	112	M103 I105 A111	M103-S107 WeakPolarHBondContact CE-OG 3.32Å; M103-S107 WeakPolarHBondContact O-CB 3.21Å; M103-S107 PolarHBondContact O-N 3.45Å; M103-S107 PolarHBondContact O-OG 3.24Å; I105-S107 VanDerWaalsContact C-N 3.3Å; I105-S107 PolarHBondContact O-N 3.07Å; S107-A111 VanDerWaalsContact O-CB 3.26Å; S107-A111 WeakPolarHBondContact O-CB 3.48Å; S107-A111 PolarHBondContact O-N 3.17Å
108	S	91.5	Very high	91.8	Very high	45 Å²	45	61.7 Å²	61.7	32%	0.315	34%	0.344	S	S	.	.	H	α-helix	trans	-67.4	-48.5	175	-169.3	0	0	0	0	111.5	R104 I105 F110 A111 D112	R104-S108 WeakPolarHBondContact O-CB 3.5Å; R104-S108 PolarHBondContact O-N 3.44Å; I105-S108 PolarHBondContact O-N 3.05Å; I105-S108 VanDerWaalsContact O-N 3.11Å; S108-F110 VanDerWaalsContact C-N 3.28Å; S108-F110 PolarHBondContact O-N 3.5Å; S108-A111 WeakPolarHBondContact O-CA 3.45Å; S108-A111 WeakPolarHBondContact O-CB 3.35Å; S108-A111 PolarHBondContact O-N 2.62Å; S108-D112 PolarHBondContact O-N 3.18Å
109	E	93.5	Very high	91.4	Very high	82 Å²	82	57.8 Å²	57.8	38%	0.383	33%	0.327	S	S	.	.	H	α-helix	trans	-60.2	-39.4	178.9	-72.5	-178.8	177.2	0	0	112.3	I105 D112 D113 K119	I105-E109 HydrophobicContact CG2-CG 4.33Å; I105-E109 WeakPolarHBondContact O-CG 3.48Å; I105-E109 PolarHBondContact O-N 3.11Å; E109-D112 PolarHBondContact O-N 3.2Å; E109-D113 PolarHBondContact O-N 3.06Å; E109-K119 HydrophobicContact CB-CD 4.47Å; E109-K119 WeakPolarHBondContact O-CD 3.49Å; E109-K119 PolarHBondContact O-NZ 2.83Å; E109-K119 VanDerWaalsContact O-NZ 3.08Å
110	F	90.7	Very high	91	Very high	41 Å²	41	58 Å²	58	18%	0.18	33%	0.326	C	S	.	.	H	α-helix	trans	-70.1	-34.3	173.5	178	-108.4	0	0	0	112.2	A106 S108 D112 D113 P114 K119 R120 M123	A106-F110 VanDerWaalsContact O-CB 3.32Å; A106-F110 WeakPolarHBondContact O-CB 3.47Å; A106-F110 PolarHBondContact O-N 3.37Å; A106-F110 VanDerWaalsContact O-N 3.09Å; S108-F110 VanDerWaalsContact C-N 3.28Å; S108-F110 PolarHBondContact O-N 3.5Å; F110-D112 VanDerWaalsContact C-N 3.31Å; F110-D113 CarbonylContact O-C 3.58Å; F110-D113 PolarHBondContact O-N 2.87Å; F110-P114 HydrophobicContact CE2-CB 4.43Å; F110-P114 VanDerWaalsContact CE2-O 3.3Å; F110-P114 WeakPolarHBondContact CE2-O 3.45Å; F110-P114 HydrophobicContact CZ-CB 4.32Å; F110-P114 VanDerWaalsContact O-CA 3.25Å; F110-P114 WeakPolarHBondContact O-CA 3.41Å; F110-P114 WeakPolarHBondContact O-CG 3.47Å; F110-K119 HydrophobicContact CB-CB 4.44Å; F110-K119 HydrophobicContact CD2-CB 4.4Å; F110-R120 HydrophobicContact CD2-CB 3.85Å; F110-R120 HydrophobicContact CD2-CG 4.44Å; F110-R120 HydrophobicContact CE2-CB 3.57Å; F110-R120 HydrophobicContact CE2-CG 3.89Å; F110-R120 HydrophobicContact CZ-CB 4.4Å; F110-R120 HydrophobicContact CZ-CG 4.23Å; F110-M123 HydrophobicContact CB-CB 4.41Å; F110-M123 HydrophobicContact CB-SD 4.15Å; F110-M123 HydrophobicContact CD1-CE 3.38Å; F110-M123 HydrophobicContact CD1-SD 3.43Å; F110-M123 WeakPolarHBondContact CD1-SD 3.49Å; F110-M123 HydrophobicContact CD2-CE 4.37Å; F110-M123 HydrophobicContact CE1-CE 3.54Å; F110-M123 HydrophobicContact CE1-SD 4.1Å; F110-M123 HydrophobicContact CG-CE 3.82Å; F110-M123 HydrophobicContact CG-SD 3.95Å; F110-M123 HydrophobicContact CZ-CE 4.12Å
111	A	88.3	Confident	90.7	Very high	11 Å²	11	58.6 Å²	58.6	9%	0.091	33%	0.332	C	S	.	.	H	α-helix	trans	-65.9	-34.9	174	0	0	0	0	0	112.3	A57 H58 S107 S108	A57-A111 HydrophobicContact CB-CB 3.62Å; H58-A111 WeakPolarHBondContact ND1-CB 3.36Å; S107-A111 VanDerWaalsContact O-CB 3.26Å; S107-A111 WeakPolarHBondContact O-CB 3.48Å; S107-A111 PolarHBondContact O-N 3.17Å; S108-A111 WeakPolarHBondContact O-CA 3.45Å; S108-A111 WeakPolarHBondContact O-CB 3.35Å; S108-A111 PolarHBondContact O-N 2.62Å
112	D	91.5	Very high	90.6	Very high	107 Å²	107	56.9 Å²	56.9	57%	0.572	33%	0.328	S	S	*	.	H	α-helix	trans	-69.3	-33.1	174.2	-66.5	-36.9	0	0	0	112.6	H58 S108 E109 F110	H58-D112 IonicContact CE1-OD1 3.22Å; H58-D112 PolarHBondContact CE1-OD1 2.86Å; H58-D112 IonicContact NE2-OD1 3.17Å; S108-D112 PolarHBondContact O-N 3.18Å; E109-D112 PolarHBondContact O-N 3.2Å; F110-D112 VanDerWaalsContact C-N 3.31Å
113	D	90	Very high	90.4	Very high	62 Å²	62	54.5 Å²	54.5	33%	0.332	31%	0.312	S	S	.	.			trans	-139.8	79.3	179.9	-178.6	6.5	0	0	0	112	E109 F110 C115 S116 K119	E109-D113 PolarHBondContact O-N 3.06Å; F110-D113 CarbonylContact O-C 3.58Å; F110-D113 PolarHBondContact O-N 2.87Å; D113-C115 PolarHBondContact O-N 3.24Å; D113-S116 PolarHBondContact O-N 3.41Å; D113-S116 PolarHBondContact OD1-N 2.92Å; D113-S116 VanDerWaalsContact OD2-CB 3.24Å; D113-S116 WeakPolarHBondContact OD2-CB 3.31Å; D113-K119 HydrophobicContact CB-CD 3.76Å; D113-K119 VanDerWaalsContact CB-NZ 3.29Å; D113-K119 IonicContact OD2-NZ 3.3Å
114	P	84.7	Confident	90.2	Very high	75 Å²	75	54.4 Å²	54.4	49%	0.487	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-14.8	-176.1	-21	33.8	0	0	0	114.3	F110	F110-P114 HydrophobicContact CE2-CB 4.43Å; F110-P114 VanDerWaalsContact CE2-O 3.3Å; F110-P114 WeakPolarHBondContact CE2-O 3.45Å; F110-P114 HydrophobicContact CZ-CB 4.32Å; F110-P114 VanDerWaalsContact O-CA 3.25Å; F110-P114 WeakPolarHBondContact O-CA 3.41Å; F110-P114 WeakPolarHBondContact O-CG 3.47Å
115	C	84.5	Confident	90.1	Very high	123 Å²	123	57.6 Å²	57.6	83%	0.831	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-15.3	179.8	-67.7	0	0	0	0	112.3	D113 S117	D113-C115 PolarHBondContact O-N 3.24Å; C115-S117 PolarHBondContact O-N 3.06Å
116	S	88.2	Confident	89.9	Confident	28 Å²	28	54.6 Å²	54.6	20%	0.196	31%	0.31	C	S	.	.			trans	-73.3	111.5	177.4	175.8	0	0	0	0	112.1	D113 V118 K119 R120	D113-S116 PolarHBondContact O-N 3.41Å; D113-S116 PolarHBondContact OD1-N 2.92Å; D113-S116 VanDerWaalsContact OD2-CB 3.24Å; D113-S116 WeakPolarHBondContact OD2-CB 3.31Å; S116-V118 PolarHBondContact O-N 3.34Å; S116-K119 PolarHBondContact O-N 2.87Å; S116-K119 PolarHBondContact OG-N 3.48Å; S116-R120 WeakPolarHBondContact O-CB 3.49Å; S116-R120 PolarHBondContact O-N 2.9Å
117	S	87.2	Confident	89.8	Confident	97 Å²	97	55 Å²	55	68%	0.678	31%	0.313	S	S	*	.	H	α-helix	trans	-61.5	-33.4	172.6	58.4	0	0	0	0	112.4	C115 G121	C115-S117 PolarHBondContact O-N 3.06Å; S117-G121 PolarHBondContact O-N 3.07Å
118	V	91.3	Very high	89.8	Confident	104 Å²	104	60.8 Å²	60.8	63%	0.63	33%	0.334	S	S	*	.	H	α-helix	trans	-66.3	-51.2	178.2	179.3	0	0	0	0	110.6	S116 R120 G121 T122	S116-V118 PolarHBondContact O-N 3.34Å; V118-R120 VanDerWaalsContact C-N 3.34Å; V118-R120 PolarHBondContact O-N 3.44Å; V118-G121 PolarHBondContact O-N 2.97Å; V118-G121 VanDerWaalsContact O-N 3.13Å; V118-T122 PolarHBondContact O-N 3.44Å; V118-T122 PolarHBondContact O-OG1 2.89Å
119	K	90.6	Very high	89.8	Confident	55 Å²	55	60.2 Å²	60.2	24%	0.239	33%	0.332	C	S	.	.	H	α-helix	trans	-62.9	-40.7	178.2	-72.3	173.4	159.2	-167	0	111.7	E109 F110 D113 S116 G121 T122 M123	E109-K119 HydrophobicContact CB-CD 4.47Å; E109-K119 WeakPolarHBondContact O-CD 3.49Å; E109-K119 PolarHBondContact O-NZ 2.83Å; E109-K119 VanDerWaalsContact O-NZ 3.08Å; F110-K119 HydrophobicContact CB-CB 4.44Å; F110-K119 HydrophobicContact CD2-CB 4.4Å; D113-K119 HydrophobicContact CB-CD 3.76Å; D113-K119 VanDerWaalsContact CB-NZ 3.29Å; D113-K119 IonicContact OD2-NZ 3.3Å; S116-K119 PolarHBondContact O-N 2.87Å; S116-K119 PolarHBondContact OG-N 3.48Å; K119-G121 VanDerWaalsContact C-N 3.34Å; K119-G121 PolarHBondContact O-N 3.33Å; K119-T122 PolarHBondContact O-N 3.19Å; K119-M123 PolarHBondContact O-N 3.35Å
120	R	86.4	Confident	89.8	Confident	49 Å²	49	57.1 Å²	57.1	19%	0.185	32%	0.318	C	S	.	.	H	α-helix	trans	-57.2	-46.2	171.7	-170.6	-179.4	178.7	169.8	4.8	112.1	L38 T41 S42 F110 S116 V118 T122 M123 V124	L38-R120 PolarHBondContact O-NH2 3.35Å; L38-R120 VanDerWaalsContact O-NH2 3.1Å; T41-R120 PolarHBondContact O-NH1 3.48Å; T41-R120 PolarHBondContact O-NH2 2.87Å; T41-R120 VanDerWaalsContact O-NH2 3.13Å; T41-R120 PolarHBondContact OG1-NH2 3.32Å; S42-R120 VanDerWaalsContact CA-CZ 3.41Å; S42-R120 VanDerWaalsContact N-NH2 3.13Å; F110-R120 HydrophobicContact CD2-CB 3.85Å; F110-R120 HydrophobicContact CD2-CG 4.44Å; F110-R120 HydrophobicContact CE2-CB 3.57Å; F110-R120 HydrophobicContact CE2-CG 3.89Å; F110-R120 HydrophobicContact CZ-CB 4.4Å; F110-R120 HydrophobicContact CZ-CG 4.23Å; S116-R120 WeakPolarHBondContact O-CB 3.49Å; S116-R120 PolarHBondContact O-N 2.9Å; V118-R120 VanDerWaalsContact C-N 3.34Å; V118-R120 PolarHBondContact O-N 3.44Å; R120-T122 VanDerWaalsContact C-N 3.32Å; R120-T122 PolarHBondContact O-N 2.94Å; R120-M123 HydrophobicContact CG-CE 4.24Å; R120-M123 PolarHBondContact O-N 3.3Å; R120-V124 WeakPolarHBondContact O-CG2 3.46Å; R120-V124 PolarHBondContact O-N 3Å
121	G	89.3	Confident	89.8	Confident	24 Å²	24	56.7 Å²	56.7	25%	0.247	32%	0.317	C	S	.	.	H	α-helix	trans	-60.9	-39.5	177.4	0	0	0	0	0	112.7	S117 V118 K119 V124 R125	S117-G121 PolarHBondContact O-N 3.07Å; V118-G121 PolarHBondContact O-N 2.97Å; V118-G121 VanDerWaalsContact O-N 3.13Å; K119-G121 VanDerWaalsContact C-N 3.34Å; K119-G121 PolarHBondContact O-N 3.33Å; G121-V124 PolarHBondContact O-N 2.84Å; G121-R125 WeakPolarHBondContact O-CG 3.25Å; G121-R125 PolarHBondContact O-N 3.49Å; G121-R125 VanDerWaalsContact O-N 3.1Å
122	T	92.4	Very high	89.9	Confident	47 Å²	47	59.1 Å²	59.1	29%	0.288	33%	0.333	S	S	.	.	H	α-helix	trans	-63.9	-46.6	173.9	-60.5	0	0	0	0	111.9	A106 V118 K119 R120 V124 R125 A126	A106-T122 HydrophobicContact CB-CG2 4.08Å; V118-T122 PolarHBondContact O-N 3.44Å; V118-T122 PolarHBondContact O-OG1 2.89Å; K119-T122 PolarHBondContact O-N 3.19Å; R120-T122 VanDerWaalsContact C-N 3.32Å; R120-T122 PolarHBondContact O-N 2.94Å; T122-V124 PolarHBondContact O-N 2.93Å; T122-R125 PolarHBondContact O-N 3.17Å; T122-R125 PolarHBondContact OG1-NH2 3.24Å; T122-A126 PolarHBondContact O-N 3.47Å
123	M	91.4	Very high	89.9	Confident	12 Å²	12	54.6 Å²	54.6	6%	0.059	31%	0.311	C	S	.	.	H	α-helix	trans	-59.8	-42.3	175.4	-180	-169.3	54.4	0	0	112.2	L38 M103 A106 F110 K119 R120 R125 A126 A127	L38-M123 HydrophobicContact CD2-CE 3.41Å; L38-M123 VanDerWaalsContact CD2-CE 3.41Å; M103-M123 HydrophobicContact CE-CG 4.03Å; M103-M123 HydrophobicContact SD-CG 4.27Å; A106-M123 HydrophobicContact CB-CB 4.3Å; F110-M123 HydrophobicContact CB-CB 4.41Å; F110-M123 HydrophobicContact CB-SD 4.15Å; F110-M123 HydrophobicContact CD1-CE 3.38Å; F110-M123 HydrophobicContact CD1-SD 3.43Å; F110-M123 WeakPolarHBondContact CD1-SD 3.49Å; F110-M123 HydrophobicContact CD2-CE 4.37Å; F110-M123 HydrophobicContact CE1-CE 3.54Å; F110-M123 HydrophobicContact CE1-SD 4.1Å; F110-M123 HydrophobicContact CG-CE 3.82Å; F110-M123 HydrophobicContact CG-SD 3.95Å; F110-M123 HydrophobicContact CZ-CE 4.12Å; K119-M123 PolarHBondContact O-N 3.35Å; R120-M123 HydrophobicContact CG-CE 4.24Å; R120-M123 PolarHBondContact O-N 3.3Å; M123-R125 PolarHBondContact O-N 3.04Å; M123-A126 PolarHBondContact O-N 2.88Å; M123-A127 WeakPolarHBondContact O-CB 3.45Å; M123-A127 PolarHBondContact O-N 3.13Å
124	V	89.7	Confident	90.1	Very high	15 Å²	15	52.4 Å²	52.4	9%	0.091	30%	0.3	C	S	.	.	H	α-helix	trans	-63.6	-40.7	177.6	168.8	0	0	0	0	111.9	L38 V39 R120 G121 T122 A127 R128	L38-V124 HydrophobicContact CD2-CG2 3.79Å; V39-V124 HydrophobicContact CG2-CG1 3.55Å; R120-V124 WeakPolarHBondContact O-CG2 3.46Å; R120-V124 PolarHBondContact O-N 3Å; G121-V124 PolarHBondContact O-N 2.84Å; T122-V124 PolarHBondContact O-N 2.93Å; V124-A127 PolarHBondContact O-N 2.69Å; V124-R128 WeakPolarHBondContact O-CG 3.5Å; V124-R128 PolarHBondContact O-N 3.36Å; V124-R128 VanDerWaalsContact O-N 3.08Å
125	R	91.3	Very high	90.4	Very high	152 Å²	152	49.7 Å²	49.7	57%	0.574	28%	0.282	S	S	*	.	H	α-helix	trans	-63.6	-44.3	174.4	-74.4	-173.9	-66.2	-95.8	-1.3	111.6	G121 T122 M123 R128 A129	G121-R125 WeakPolarHBondContact O-CG 3.25Å; G121-R125 PolarHBondContact O-N 3.49Å; G121-R125 VanDerWaalsContact O-N 3.1Å; T122-R125 PolarHBondContact O-N 3.17Å; T122-R125 PolarHBondContact OG1-NH2 3.24Å; M123-R125 PolarHBondContact O-N 3.04Å; R125-R128 PolarHBondContact O-N 3.3Å; R125-A129 PolarHBondContact O-N 2.85Å
126	A	92.4	Very high	90.7	Very high	6 Å²	6	47.6 Å²	47.6	5%	0.05	26%	0.257	C	S	.	.	H	α-helix	trans	-61.9	-42.6	176.7	0	0	0	0	0	111.9	T102 M103 A106 T122 M123 R128 A129 L130	T102-A126 HydrophobicContact CG2-CB 4.09Å; M103-A126 HydrophobicContact CB-CB 4.29Å; M103-A126 HydrophobicContact SD-CB 3.89Å; A106-A126 HydrophobicContact CB-CB 4.05Å; T122-A126 PolarHBondContact O-N 3.47Å; M123-A126 PolarHBondContact O-N 2.88Å; A126-R128 PolarHBondContact O-N 2.85Å; A126-A129 PolarHBondContact O-N 3.29Å; A126-L130 WeakPolarHBondContact O-CB 3.29Å; A126-L130 PolarHBondContact O-N 3.37Å
127	A	90.5	Very high	90.9	Very high	10 Å²	10	46.7 Å²	46.7	8%	0.083	25%	0.249	C	C	.	.	H	α-helix	trans	-62.6	-41.5	177	0	0	0	0	0	112.7	V35 M103 M123 V124 L130 L131	V35-A127 HydrophobicContact CG2-CB 4.32Å; M103-A127 HydrophobicContact CE-CB 3.86Å; M103-A127 HydrophobicContact SD-CB 3.93Å; M123-A127 WeakPolarHBondContact O-CB 3.45Å; M123-A127 PolarHBondContact O-N 3.13Å; V124-A127 PolarHBondContact O-N 2.69Å; A127-L130 PolarHBondContact O-N 2.81Å; A127-L131 WeakPolarHBondContact O-CB 3.33Å; A127-L131 PolarHBondContact O-N 3.3Å
128	R	89.9	Confident	91.2	Very high	131 Å²	131	43.3 Å²	43.3	49%	0.494	22%	0.223	S	C	.	.	H	α-helix	trans	-65	-42.1	174.7	-76	178.4	175.4	162.1	-4.1	112.3	V35 V124 R125 A126 L131 S132	V35-R128 HydrophobicContact CG1-CG 3.99Å; V124-R128 WeakPolarHBondContact O-CG 3.5Å; V124-R128 PolarHBondContact O-N 3.36Å; V124-R128 VanDerWaalsContact O-N 3.08Å; R125-R128 PolarHBondContact O-N 3.3Å; A126-R128 PolarHBondContact O-N 2.85Å; R128-L131 PolarHBondContact O-N 3.22Å; R128-S132 WeakPolarHBondContact O-CB 3.29Å; R128-S132 PolarHBondContact O-N 2.9Å
129	A	92.5	Very high	91.2	Very high	34 Å²	34	38.6 Å²	38.6	28%	0.281	20%	0.195	S	C	.	.	H	α-helix	trans	-65.4	-41.9	178.1	0	0	0	0	0	111.4	Q99 R125 A126 S132 A133	Q99-A129 HydrophobicContact CG-CB 4.26Å; Q99-A129 VanDerWaalsContact OE1-CB 3.24Å; R125-A129 PolarHBondContact O-N 2.85Å; A126-A129 PolarHBondContact O-N 3.29Å; A129-S132 PolarHBondContact O-N 3.46Å; A129-A133 PolarHBondContact O-N 3.3Å
130	L	92.6	Very high	91.2	Very high	17 Å²	17	36 Å²	36	9%	0.089	18%	0.184	C	C	.	.	H	α-helix	trans	-63.1	-45.7	173.8	-179.8	59.4	0	0	0	111.7	T68 V96 Q99 M103 A126 A127 S132 A133 V134	T68-L130 HydrophobicContact CG2-CD1 4.32Å; V96-L130 HydrophobicContact CG1-CD1 4.11Å; Q99-L130 HydrophobicContact CB-CB 4.17Å; Q99-L130 HydrophobicContact CB-CD1 4.13Å; M103-L130 HydrophobicContact CB-CD2 3.97Å; M103-L130 HydrophobicContact CG-CD2 3.91Å; A126-L130 WeakPolarHBondContact O-CB 3.29Å; A126-L130 PolarHBondContact O-N 3.37Å; A127-L130 PolarHBondContact O-N 2.81Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-S132 PolarHBondContact O-N 2.93Å; L130-A133 PolarHBondContact O-N 3.3Å; L130-V134 HydrophobicContact CD1-CG2 4.11Å; L130-V134 HydrophobicContact CG-CG2 4.38Å; L130-V134 WeakPolarHBondContact O-CB 3.5Å; L130-V134 VanDerWaalsContact O-CG2 3.29Å; L130-V134 WeakPolarHBondContact O-CG2 3.32Å; L130-V134 PolarHBondContact O-N 2.92Å
131	L	90.6	Very high	91.4	Very high	31 Å²	31	34.8 Å²	34.8	16%	0.162	18%	0.184	C	C	.	.	H	α-helix	trans	-58.4	-45.1	175.9	178.7	59.8	0	0	0	111.5	L28 L31 V32 V35 A127 R128 A133 V134 T135	L28-L131 HydrophobicContact CD2-CD1 4.09Å; L31-L131 HydrophobicContact CB-CD1 3.84Å; V32-L131 HydrophobicContact CG2-CD1 4.37Å; V32-L131 HydrophobicContact CG2-CD2 4.06Å; V35-L131 HydrophobicContact CB-CD2 4.2Å; V35-L131 HydrophobicContact CG1-CD2 4.34Å; V35-L131 HydrophobicContact CG2-CD2 4.14Å; A127-L131 WeakPolarHBondContact O-CB 3.33Å; A127-L131 PolarHBondContact O-N 3.3Å; R128-L131 PolarHBondContact O-N 3.22Å; L131-A133 PolarHBondContact O-N 3.41Å; L131-V134 PolarHBondContact O-N 2.92Å; L131-T135 WeakPolarHBondContact O-CB 3.33Å; L131-T135 PolarHBondContact O-N 3.21Å; L131-T135 PolarHBondContact O-OG1 3.4Å
132	S	90.9	Very high	91.4	Very high	62 Å²	62	34 Å²	34	43%	0.434	17%	0.174	S	C	.	.	H	α-helix	trans	-59.7	-44.7	175.9	-172.7	0	0	0	0	112.3	R128 A129 L130 T135 R136	R128-S132 WeakPolarHBondContact O-CB 3.29Å; R128-S132 PolarHBondContact O-N 2.9Å; A129-S132 PolarHBondContact O-N 3.46Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-S132 PolarHBondContact O-N 2.93Å; S132-T135 PolarHBondContact O-N 2.93Å; S132-R136 WeakPolarHBondContact O-CB 3.23Å; S132-R136 PolarHBondContact O-N 3.36Å
133	A	92.3	Very high	91.3	Very high	12 Å²	12	31.8 Å²	31.8	10%	0.099	16%	0.16	C	C	.	.	H	α-helix	trans	-64.4	-42.3	177.4	0	0	0	0	0	112.3	V96 Q99 A129 L130 L131 R136 L137	V96-A133 HydrophobicContact CB-CB 4.48Å; V96-A133 HydrophobicContact CG2-CB 3.73Å; V96-A133 WeakPolarHBondContact CG2-O 3.5Å; Q99-A133 HydrophobicContact CB-CB 4.46Å; Q99-A133 HydrophobicContact CG-CB 4.08Å; A129-A133 PolarHBondContact O-N 3.3Å; L130-A133 PolarHBondContact O-N 3.3Å; L131-A133 PolarHBondContact O-N 3.41Å; A133-R136 PolarHBondContact O-N 2.92Å; A133-L137 PolarHBondContact O-N 3.33Å
134	V	92.5	Very high	91.2	Very high	16 Å²	16	31.7 Å²	31.7	10%	0.097	16%	0.162	C	C	.	.	H	α-helix	trans	-63.1	-47.9	175.9	167.9	0	0	0	0	110.9	L28 L31 F71 V96 L130 L131 R136 L137 L138	L28-V134 HydrophobicContact CD2-CG1 4.24Å; L31-V134 HydrophobicContact CD1-CG1 4.33Å; F71-V134 HydrophobicContact CD1-CG2 4.24Å; F71-V134 HydrophobicContact CE1-CB 4.24Å; F71-V134 HydrophobicContact CE1-CG1 4.04Å; F71-V134 HydrophobicContact CE1-CG2 3.81Å; F71-V134 HydrophobicContact CE2-CG1 4.25Å; F71-V134 HydrophobicContact CZ-CB 4.37Å; F71-V134 HydrophobicContact CZ-CG1 3.73Å; F71-V134 HydrophobicContact CZ-CG2 4.36Å; V96-V134 HydrophobicContact CG1-CG2 4.27Å; V96-V134 HydrophobicContact CG2-CG2 4.41Å; L130-V134 HydrophobicContact CD1-CG2 4.11Å; L130-V134 HydrophobicContact CG-CG2 4.38Å; L130-V134 WeakPolarHBondContact O-CB 3.5Å; L130-V134 VanDerWaalsContact O-CG2 3.29Å; L130-V134 WeakPolarHBondContact O-CG2 3.32Å; L130-V134 PolarHBondContact O-N 2.92Å; L131-V134 PolarHBondContact O-N 2.92Å; V134-R136 VanDerWaalsContact C-N 3.31Å; V134-R136 PolarHBondContact O-N 3.28Å; V134-L137 PolarHBondContact O-N 3.45Å; V134-L138 HydrophobicContact CG1-CD1 4.21Å; V134-L138 WeakPolarHBondContact O-CG 3.47Å; V134-L138 PolarHBondContact O-N 2.97Å
135	T	91	Very high	91.2	Very high	18 Å²	18	33.6 Å²	33.6	11%	0.11	17%	0.171	C	C	.	.	H	α-helix	trans	-56.6	-46.3	175.7	-62.6	0	0	0	0	110.9	L17 L28 L131 S132 L137 L138 I139	L17-T135 HydrophobicContact CD2-CG2 4.28Å; L28-T135 HydrophobicContact CD1-CG2 3.78Å; L28-T135 WeakPolarHBondContact CD2-OG1 3.27Å; L131-T135 WeakPolarHBondContact O-CB 3.33Å; L131-T135 PolarHBondContact O-N 3.21Å; L131-T135 PolarHBondContact O-OG1 3.4Å; S132-T135 PolarHBondContact O-N 2.93Å; T135-L137 PolarHBondContact O-N 2.88Å; T135-L138 PolarHBondContact O-N 3.45Å; T135-I139 HydrophobicContact CG2-CD1 3.82Å; T135-I139 HydrophobicContact CG2-CG1 4.45Å; T135-I139 WeakPolarHBondContact O-CG1 3.35Å; T135-I139 PolarHBondContact O-N 3.32Å
136	R	91.9	Very high	91.3	Very high	80 Å²	80	26.4 Å²	26.4	30%	0.302	14%	0.144	S	C	.	.	H	α-helix	trans	-60.7	-44	178.2	-175	174.4	-177.6	-93.6	-13.7	112.3	L17 D95 S132 A133 V134 I139 L140	L17-R136 HydrophobicContact CD2-CB 4.37Å; D95-R136 IonicContact OD2-NH1 2.62Å; S132-R136 WeakPolarHBondContact O-CB 3.23Å; S132-R136 PolarHBondContact O-N 3.36Å; A133-R136 PolarHBondContact O-N 2.92Å; V134-R136 VanDerWaalsContact C-N 3.31Å; V134-R136 PolarHBondContact O-N 3.28Å; R136-I139 PolarHBondContact O-N 3.48Å; R136-L140 HydrophobicContact CG-CD1 4.27Å; R136-L140 WeakPolarHBondContact O-CG 3.48Å; R136-L140 PolarHBondContact O-N 2.88Å
137	L	92.8	Very high	91.2	Very high	8 Å²	8	27 Å²	27	4%	0.042	15%	0.146	C	C	.	.	H	α-helix	trans	-63.8	-41	176.9	177.9	56.4	0	0	0	111.9	F71 L89 A92 V93 V96 A133 V134 T135 L140 A141	F71-L137 HydrophobicContact CE1-CD2 3.63Å; F71-L137 HydrophobicContact CE1-CG 4.45Å; F71-L137 HydrophobicContact CZ-CD2 3.94Å; F71-L137 HydrophobicContact CZ-CG 4.36Å; L89-L137 HydrophobicContact CD2-CD1 3.81Å; A92-L137 HydrophobicContact CB-CB 4.18Å; A92-L137 HydrophobicContact CB-CD1 4.01Å; V93-L137 HydrophobicContact CG2-CD1 3.93Å; V93-L137 HydrophobicContact CG2-CD2 3.77Å; V96-L137 HydrophobicContact CG2-CB 4.3Å; V96-L137 HydrophobicContact CG2-CD2 4.22Å; A133-L137 PolarHBondContact O-N 3.33Å; V134-L137 PolarHBondContact O-N 3.45Å; T135-L137 PolarHBondContact O-N 2.88Å; L137-L140 PolarHBondContact O-N 3.46Å; L137-A141 PolarHBondContact O-N 3.03Å
138	L	92.6	Very high	91.2	Very high	26 Å²	26	31.1 Å²	31.1	14%	0.136	16%	0.159	C	C	.	.	H	α-helix	trans	-65	-39.3	176.5	-70.9	177.9	0	0	0	112.6	V24 L27 L28 F71 V134 T135 A141 D142	V24-L138 HydrophobicContact CG1-CB 4.01Å; V24-L138 HydrophobicContact CG1-CD1 4.46Å; V24-L138 HydrophobicContact CG2-CB 4.29Å; L27-L138 HydrophobicContact CB-CD1 4.38Å; L27-L138 HydrophobicContact CD1-CD2 4.42Å; L28-L138 HydrophobicContact CD1-CD1 4.43Å; L28-L138 HydrophobicContact CD2-CD1 3.8Å; L28-L138 HydrophobicContact CG-CD1 3.89Å; F71-L138 HydrophobicContact CE2-CD2 4.04Å; F71-L138 HydrophobicContact CE2-CG 4.43Å; F71-L138 HydrophobicContact CZ-CD2 4.25Å; F71-L138 HydrophobicContact CZ-CG 4.27Å; V134-L138 HydrophobicContact CG1-CD1 4.21Å; V134-L138 WeakPolarHBondContact O-CG 3.47Å; V134-L138 PolarHBondContact O-N 2.97Å; T135-L138 PolarHBondContact O-N 3.45Å; L138-A141 PolarHBondContact O-N 2.86Å; L138-D142 PolarHBondContact O-N 3.09Å
139	I	91	Very high	91.4	Very high	6 Å²	6	25 Å²	25	3%	0.031	14%	0.136	C	C	.	.	H	α-helix	trans	-64.8	-43.7	174.8	-70	172	0	0	0	110.7	W12 L17 I19 T135 R136 A141 D142 M143	W12-I139 HydrophobicContact CH2-CG2 4.2Å; W12-I139 HydrophobicContact CZ2-CG2 3.76Å; L17-I139 VanDerWaalsContact C-CD1 3.49Å; L17-I139 HydrophobicContact CB-CD1 4.34Å; L17-I139 HydrophobicContact CD2-CD1 4.09Å; I19-I139 HydrophobicContact CG1-CD1 4.5Å; T135-I139 HydrophobicContact CG2-CD1 3.82Å; T135-I139 HydrophobicContact CG2-CG1 4.45Å; T135-I139 WeakPolarHBondContact O-CG1 3.35Å; T135-I139 PolarHBondContact O-N 3.32Å; R136-I139 PolarHBondContact O-N 3.48Å; I139-A141 VanDerWaalsContact C-N 3.3Å; I139-A141 PolarHBondContact O-N 3.37Å; I139-D142 WeakPolarHBondContact O-CB 3.36Å; I139-D142 PolarHBondContact O-N 3.19Å; I139-M143 HydrophobicContact CG2-CG 4.48Å; I139-M143 HydrophobicContact CG2-SD 4.1Å; I139-M143 VanDerWaalsContact O-CG 3.29Å; I139-M143 WeakPolarHBondContact O-CG 3.39Å; I139-M143 PolarHBondContact O-N 3.46Å
140	L	90.5	Very high	91.5	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-63.7	-35.4	175.9	-73.7	168.3	0	0	0	112.6	P14 E88 L89 A92 R136 L137 M143 A144	P14-L140 HydrophobicContact CB-CD2 4.48Å; E88-L140 HydrophobicContact CB-CD1 4.31Å; E88-L140 HydrophobicContact CB-CD2 4.12Å; L89-L140 HydrophobicContact CD2-CB 3.66Å; L89-L140 HydrophobicContact CG-CB 4.43Å; A92-L140 HydrophobicContact CB-CD1 3.57Å; R136-L140 HydrophobicContact CG-CD1 4.27Å; R136-L140 WeakPolarHBondContact O-CG 3.48Å; R136-L140 PolarHBondContact O-N 2.88Å; L137-L140 PolarHBondContact O-N 3.46Å; L140-M143 HydrophobicContact CD2-SD 4.03Å; L140-M143 WeakPolarHBondContact O-CB 3.48Å; L140-M143 PolarHBondContact O-N 3.27Å; L140-A144 PolarHBondContact O-N 3.44Å
141	A	90.5	Very high	91.6	Very high	22 Å²	22	25.1 Å²	25.1	18%	0.182	14%	0.136	C	C	.	.	H	α-helix	trans	-65.4	-42.5	173.3	0	0	0	0	0	111.6	L137 L138 I139 M143 A144 D145	L137-A141 PolarHBondContact O-N 3.03Å; L138-A141 PolarHBondContact O-N 2.86Å; I139-A141 VanDerWaalsContact C-N 3.3Å; I139-A141 PolarHBondContact O-N 3.37Å; A141-M143 VanDerWaalsContact C-N 3.33Å; A141-M143 PolarHBondContact O-N 3.14Å; A141-A144 WeakPolarHBondContact O-CB 3.36Å; A141-A144 PolarHBondContact O-N 3.27Å; A141-D145 PolarHBondContact O-N 3.41Å
142	D	90.8	Very high	91.8	Very high	9 Å²	9	25.7 Å²	25.7	5%	0.048	14%	0.138	C	C	.	.	H	α-helix	trans	-60	-43.1	173.1	-168.1	75.9	0	0	0	111.8	W12 T21 V24 L138 I139 A144 D145 V146 R193	W12-D142 HydrophobicContact CH2-CB 4.2Å; W12-D142 VanDerWaalsContact CH2-OD2 3.23Å; W12-D142 WeakPolarHBondContact CH2-OD2 3.42Å; W12-D142 VanDerWaalsContact CZ3-OD2 3.29Å; W12-D142 WeakPolarHBondContact CZ3-OD2 3.39Å; T21-D142 WeakPolarHBondContact CG2-OD1 3.3Å; T21-D142 PolarHBondContact OG1-OD1 2.89Å; V24-D142 HydrophobicContact CG2-CB 4.46Å; L138-D142 PolarHBondContact O-N 3.09Å; I139-D142 WeakPolarHBondContact O-CB 3.36Å; I139-D142 PolarHBondContact O-N 3.19Å; D142-A144 VanDerWaalsContact C-N 3.34Å; D142-A144 PolarHBondContact O-N 3.11Å; D142-D145 WeakPolarHBondContact O-CB 3.12Å; D142-D145 PolarHBondContact O-N 3.15Å; D142-V146 WeakPolarHBondContact O-CG2 3.49Å; D142-V146 PolarHBondContact O-N 2.97Å; D142-R193 IonicContact OD1-CZ 3.78Å; D142-R193 IonicContact OD1-NH1 3.05Å; D142-R193 PolarHBondContact OD1-NH1 3.17Å; D142-R193 IonicContact OD1-NH2 3.1Å; D142-R193 IonicContact OD2-CZ 3.72Å; D142-R193 IonicContact OD2-NH1 2.81Å; D142-R193 PolarHBondContact OD2-NH1 2.94Å; D142-R193 VanDerWaalsContact OD2-NH1 3.1Å; D142-R193 IonicContact OD2-NH2 2.69Å; D142-R193 PolarHBondContact OD2-NH2 3.08Å
143	M	89.4	Confident	92.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.9	-40.8	175	-72.6	172.7	65.4	0	0	112.4	L10 W12 P14 L85 I139 L140 A141 D145 V146 M147	L10-M143 HydrophobicContact CD2-CB 4.48Å; L10-M143 HydrophobicContact CD2-CE 3.31Å; L10-M143 HydrophobicContact CD2-CG 4.5Å; W12-M143 HydrophobicContact CD2-CG 3.75Å; W12-M143 HydrophobicContact CD2-SD 4.37Å; W12-M143 HydrophobicContact CE3-CB 4.31Å; W12-M143 HydrophobicContact CE3-CG 3.36Å; W12-M143 HydrophobicContact CH2-CG 3.58Å; W12-M143 HydrophobicContact CZ2-CG 3.97Å; W12-M143 HydrophobicContact CZ3-CB 4.12Å; W12-M143 HydrophobicContact CZ3-CG 3.26Å; P14-M143 VanDerWaalsContact CA-CE 3.44Å; P14-M143 HydrophobicContact CB-CE 3.52Å; P14-M143 HydrophobicContact CB-SD 4.28Å; P14-M143 HydrophobicContact CG-CE 4.43Å; L85-M143 HydrophobicContact CD1-CB 3.63Å; L85-M143 HydrophobicContact CD1-CE 4.1Å; I139-M143 HydrophobicContact CG2-CG 4.48Å; I139-M143 HydrophobicContact CG2-SD 4.1Å; I139-M143 VanDerWaalsContact O-CG 3.29Å; I139-M143 WeakPolarHBondContact O-CG 3.39Å; I139-M143 PolarHBondContact O-N 3.46Å; L140-M143 HydrophobicContact CD2-SD 4.03Å; L140-M143 WeakPolarHBondContact O-CB 3.48Å; L140-M143 PolarHBondContact O-N 3.27Å; A141-M143 VanDerWaalsContact C-N 3.33Å; A141-M143 PolarHBondContact O-N 3.14Å; M143-D145 VanDerWaalsContact C-N 3.31Å; M143-D145 PolarHBondContact O-N 3.49Å; M143-V146 WeakPolarHBondContact O-CB 3.37Å; M143-V146 PolarHBondContact O-N 2.96Å; M143-M147 WeakPolarHBondContact O-CG 3.48Å; M143-M147 PolarHBondContact O-N 3.21Å
144	A	89.5	Confident	92.2	Very high	10 Å²	10	24.3 Å²	24.3	8%	0.083	12%	0.122	C	C	.	.	H	α-helix	trans	-63.9	-38.1	175.2	0	0	0	0	0	111.5	L89 L140 A141 D142 M147 R148	L89-A144 HydrophobicContact CD1-CB 4.37Å; L140-A144 PolarHBondContact O-N 3.44Å; A141-A144 WeakPolarHBondContact O-CB 3.36Å; A141-A144 PolarHBondContact O-N 3.27Å; D142-A144 VanDerWaalsContact C-N 3.34Å; D142-A144 PolarHBondContact O-N 3.11Å; A144-M147 PolarHBondContact O-N 3.42Å; A144-R148 PolarHBondContact O-N 3.28Å
145	D	90.4	Very high	92.4	Very high	55 Å²	55	26.5 Å²	26.5	29%	0.294	13%	0.132	S	C	.	.	H	α-helix	trans	-64.8	-38.4	173.5	-76.7	-26.3	0	0	0	112.4	A141 D142 M143 R148 L149	A141-D145 PolarHBondContact O-N 3.41Å; D142-D145 WeakPolarHBondContact O-CB 3.12Å; D142-D145 PolarHBondContact O-N 3.15Å; M143-D145 VanDerWaalsContact C-N 3.31Å; M143-D145 PolarHBondContact O-N 3.49Å; D145-R148 PolarHBondContact O-N 3.49Å; D145-R148 IonicContact OD1-CZ 3.95Å; D145-R148 IonicContact OD1-NH1 2.64Å; D145-R148 PolarHBondContact OD1-NH1 2.83Å; D145-R148 VanDerWaalsContact OD1-NH1 3.17Å; D145-R148 IonicContact OD1-NH2 3.77Å; D145-R148 PolarHBondContact OD1-NH2 2.8Å; D145-L149 PolarHBondContact O-N 3.47Å
146	V	91.8	Very high	92.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.6	-46	171.6	174	0	0	0	0	110.7	L10 W12 D142 M143 R148 L149 L150 R193 Q259	L10-V146 HydrophobicContact CD1-CG1 3.97Å; W12-V146 HydrophobicContact CZ3-CG2 4.22Å; D142-V146 WeakPolarHBondContact O-CG2 3.49Å; D142-V146 PolarHBondContact O-N 2.97Å; M143-V146 WeakPolarHBondContact O-CB 3.37Å; M143-V146 PolarHBondContact O-N 2.96Å; V146-R148 VanDerWaalsContact C-N 3.29Å; V146-R148 PolarHBondContact O-N 3.44Å; V146-L149 WeakPolarHBondContact O-CA 3.33Å; V146-L149 WeakPolarHBondContact O-CB 3.13Å; V146-L149 PolarHBondContact O-N 3.4Å; V146-L150 HydrophobicContact CG1-CD1 4.16Å; V146-L150 HydrophobicContact CG1-CG 4.29Å; V146-L150 WeakPolarHBondContact O-CG 3.45Å; V146-L150 PolarHBondContact O-N 3.4Å; V146-R193 VanDerWaalsContact CG2-CZ 3.4Å; V146-Q259 HydrophobicContact CG1-CG 3.95Å
147	M	90.8	Very high	92.9	Very high	20 Å²	20	26.2 Å²	26.2	10%	0.099	13%	0.133	C	C	.	.	H	α-helix	trans	-60.2	-39.2	177.1	-74.6	-169.9	68.3	0	0	112.3	L10 D84 L85 M143 A144 L149 L150 S151	L10-M147 HydrophobicContact CD1-CG 4.21Å; D84-M147 HydrophobicContact CB-CB 4.05Å; D84-M147 HydrophobicContact CB-CE 3.67Å; D84-M147 HydrophobicContact CB-SD 3.81Å; D84-M147 WeakPolarHBondContact OD1-CE 3.46Å; L85-M147 HydrophobicContact CD1-SD 3.93Å; L85-M147 HydrophobicContact CD2-SD 4.09Å; L85-M147 HydrophobicContact CG-SD 3.65Å; M143-M147 WeakPolarHBondContact O-CG 3.48Å; M143-M147 PolarHBondContact O-N 3.21Å; A144-M147 PolarHBondContact O-N 3.42Å; M147-L149 PolarHBondContact O-N 2.92Å; M147-L150 PolarHBondContact O-N 3.47Å; M147-S151 WeakPolarHBondContact O-CB 3.32Å; M147-S151 PolarHBondContact O-N 3.18Å
148	R	91.2	Very high	93.1	Very high	95 Å²	95	30.4 Å²	30.4	36%	0.358	15%	0.153	S	C	.	.	H	α-helix	trans	-62.3	-41.3	172.9	-172.4	177.4	63.4	-131.5	-19.2	112	A144 D145 V146 S151 H152	A144-R148 PolarHBondContact O-N 3.28Å; D145-R148 PolarHBondContact O-N 3.49Å; D145-R148 IonicContact OD1-CZ 3.95Å; D145-R148 IonicContact OD1-NH1 2.64Å; D145-R148 PolarHBondContact OD1-NH1 2.83Å; D145-R148 VanDerWaalsContact OD1-NH1 3.17Å; D145-R148 IonicContact OD1-NH2 3.77Å; D145-R148 PolarHBondContact OD1-NH2 2.8Å; V146-R148 VanDerWaalsContact C-N 3.29Å; V146-R148 PolarHBondContact O-N 3.44Å; R148-S151 WeakPolarHBondContact O-CB 3.42Å; R148-S151 PolarHBondContact O-N 3.02Å; R148-H152 PolarHBondContact O-CD2 2.96Å; R148-H152 PolarHBondContact O-N 3.28Å
149	L	94.4	Very high	93.3	Very high	2 Å²	2	30 Å²	30	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-62.8	-43.6	173.8	174	58.1	0	0	0	111.6	D145 V146 M147 S151 H152 L153 L186 V189 A190 R193 M206 I254 A258	D145-L149 PolarHBondContact O-N 3.47Å; V146-L149 WeakPolarHBondContact O-CA 3.33Å; V146-L149 WeakPolarHBondContact O-CB 3.13Å; V146-L149 PolarHBondContact O-N 3.4Å; M147-L149 PolarHBondContact O-N 2.92Å; L149-S151 VanDerWaalsContact C-N 3.29Å; L149-S151 PolarHBondContact O-N 3.33Å; L149-H152 PolarHBondContact O-N 2.81Å; L149-L153 HydrophobicContact CG-CD1 4.34Å; L149-L153 WeakPolarHBondContact O-CG 3.35Å; L149-L153 PolarHBondContact O-N 3.39Å; L149-L186 HydrophobicContact CD1-CD1 3.69Å; L149-V189 HydrophobicContact CB-CG1 4Å; L149-V189 HydrophobicContact CD1-CB 4.25Å; L149-V189 HydrophobicContact CD1-CG1 3.96Å; L149-A190 HydrophobicContact CD1-CB 4.12Å; L149-R193 HydrophobicContact CD2-CB 3.95Å; L149-R193 HydrophobicContact CD2-CG 3.93Å; L149-M206 HydrophobicContact CD2-CE 4.28Å; L149-I254 HydrophobicContact CD1-CG2 4.46Å; L149-I254 HydrophobicContact CD2-CG2 4.5Å; L149-A258 HydrophobicContact CD2-CB 3.57Å; L149-A258 HydrophobicContact CG-CB 4.5Å
150	L	94.5	Very high	93.6	Very high	12 Å²	12	29.9 Å²	29.9	6%	0.063	15%	0.152	C	C	.	.	H	α-helix	trans	-62.4	-35.9	175.6	-63.9	176.9	0	0	0	112.2	I8 L10 V146 M147 L153 K154 S255 Q259	I8-L150 HydrophobicContact CG2-CB 3.84Å; I8-L150 HydrophobicContact CG2-CD1 3.92Å; L10-L150 HydrophobicContact CD1-CD1 4.02Å; V146-L150 HydrophobicContact CG1-CD1 4.16Å; V146-L150 HydrophobicContact CG1-CG 4.29Å; V146-L150 WeakPolarHBondContact O-CG 3.45Å; V146-L150 PolarHBondContact O-N 3.4Å; M147-L150 PolarHBondContact O-N 3.47Å; L150-L153 HydrophobicContact CD2-CD1 3.98Å; L150-L153 WeakPolarHBondContact O-CB 3.32Å; L150-L153 PolarHBondContact O-N 3.12Å; L150-K154 PolarHBondContact O-N 3.45Å; L150-S255 WeakPolarHBondContact CD2-OG 3.32Å; L150-Q259 HydrophobicContact CD1-CG 4.19Å; L150-Q259 HydrophobicContact CD2-CG 4.28Å
151	S	94.1	Very high	93.9	Very high	43 Å²	43	33.3 Å²	33.3	30%	0.301	17%	0.168	S	C	.	.	H	α-helix	trans	-63.3	-44.9	173.2	-175.1	0	0	0	0	111.7	M147 R148 L149 L153 K154 I155	M147-S151 WeakPolarHBondContact O-CB 3.32Å; M147-S151 PolarHBondContact O-N 3.18Å; R148-S151 WeakPolarHBondContact O-CB 3.42Å; R148-S151 PolarHBondContact O-N 3.02Å; L149-S151 VanDerWaalsContact C-N 3.29Å; L149-S151 PolarHBondContact O-N 3.33Å; S151-L153 PolarHBondContact O-N 2.87Å; S151-K154 PolarHBondContact O-N 3.36Å; S151-I155 WeakPolarHBondContact O-CG1 3.42Å; S151-I155 PolarHBondContact O-N 3.11Å
152	H	95.6	Very high	94.2	Very high	42 Å²	42	33.8 Å²	33.8	19%	0.194	17%	0.172	C	C	.	.	H	α-helix	trans	-61.8	-40.2	172.8	-76.9	-64.9	0	0	0	113	R148 L149 K154 I155 V156 L186	R148-H152 PolarHBondContact O-CD2 2.96Å; R148-H152 PolarHBondContact O-N 3.28Å; L149-H152 PolarHBondContact O-N 2.81Å; H152-K154 VanDerWaalsContact C-N 3.35Å; H152-I155 PolarHBondContact O-N 2.89Å; H152-V156 WeakPolarHBondContact O-CG2 3.31Å; H152-V156 PolarHBondContact O-N 3.16Å; H152-L186 HydrophobicContact CB-CD1 4.16Å
153	L	96.2	Very high	94.5	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-59.3	-46.9	175	-76.3	163.1	0	0	0	111	L149 L150 S151 I155 V156 E157 L186 I251 I254	L149-L153 HydrophobicContact CG-CD1 4.34Å; L149-L153 WeakPolarHBondContact O-CG 3.35Å; L149-L153 PolarHBondContact O-N 3.39Å; L150-L153 HydrophobicContact CD2-CD1 3.98Å; L150-L153 WeakPolarHBondContact O-CB 3.32Å; L150-L153 PolarHBondContact O-N 3.12Å; S151-L153 PolarHBondContact O-N 2.87Å; L153-I155 PolarHBondContact O-N 3.44Å; L153-V156 CarbonylContact O-C 3.59Å; L153-V156 WeakPolarHBondContact O-CB 3.34Å; L153-V156 PolarHBondContact O-N 3.21Å; L153-V156 VanDerWaalsContact O-N 3.11Å; L153-E157 WeakPolarHBondContact O-CG 3.35Å; L153-E157 PolarHBondContact O-N 3.45Å; L153-L186 HydrophobicContact CD2-CD1 3.62Å; L153-L186 HydrophobicContact CD2-CD2 3.72Å; L153-L186 HydrophobicContact CD2-CG 4.3Å; L153-L186 HydrophobicContact CG-CD1 3.71Å; L153-I251 HydrophobicContact CB-CG2 4.26Å; L153-I251 HydrophobicContact CD2-CB 4.4Å; L153-I251 HydrophobicContact CD2-CG2 3.67Å; L153-I254 HydrophobicContact CD1-CB 4.45Å; L153-I254 HydrophobicContact CD1-CG2 4.06Å; L153-I254 HydrophobicContact CD2-CB 3.96Å; L153-I254 HydrophobicContact CD2-CG2 3.96Å; L153-I254 HydrophobicContact CG-CG2 4.45Å
154	K	95.6	Very high	94.8	Very high	42 Å²	42	36.7 Å²	36.7	18%	0.183	19%	0.185	C	C	.	.	H	α-helix	trans	-60.8	-41.8	177.7	-175	176.6	178.1	-179.7	0	112.9	T5 S6 I8 L150 S151 H152 V156 E157 E158	T5-K154 VanDerWaalsContact CB-NZ 3.33Å; S6-K154 PolarHBondContact O-NZ 2.85Å; I8-K154 HydrophobicContact CG1-CD 4.34Å; L150-K154 PolarHBondContact O-N 3.45Å; S151-K154 PolarHBondContact O-N 3.36Å; H152-K154 VanDerWaalsContact C-N 3.35Å; K154-V156 VanDerWaalsContact C-N 3.28Å; K154-V156 PolarHBondContact O-N 3.07Å; K154-E157 WeakPolarHBondContact O-CB 3.49Å; K154-E157 PolarHBondContact O-N 3.4Å; K154-E158 WeakPolarHBondContact CE-OE1 3.4Å; K154-E158 WeakPolarHBondContact O-CG 3.44Å; K154-E158 PolarHBondContact O-N 3.43Å
155	I	96.6	Very high	95.1	Very high	62 Å²	62	40.3 Å²	40.3	32%	0.318	20%	0.203	S	C	.	.	H	α-helix	trans	-60.5	-41.3	174.9	-67.6	165.9	0	0	0	110.6	S151 H152 L153 E158 A159 E182	S151-I155 WeakPolarHBondContact O-CG1 3.42Å; S151-I155 PolarHBondContact O-N 3.11Å; H152-I155 PolarHBondContact O-N 2.89Å; L153-I155 PolarHBondContact O-N 3.44Å; I155-E158 PolarHBondContact O-N 3.48Å; I155-A159 WeakPolarHBondContact O-CB 3.38Å; I155-A159 PolarHBondContact O-N 3.06Å; I155-E182 HydrophobicContact CG2-CB 4.2Å; I155-E182 HydrophobicContact CG2-CG 3.73Å
156	V	96.9	Very high	95.3	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-67.6	-38.3	176.4	171.3	0	0	0	0	111.7	H152 L153 K154 A159 L160 F179 E182 M183 L186 I251	H152-V156 WeakPolarHBondContact O-CG2 3.31Å; H152-V156 PolarHBondContact O-N 3.16Å; L153-V156 CarbonylContact O-C 3.59Å; L153-V156 WeakPolarHBondContact O-CB 3.34Å; L153-V156 PolarHBondContact O-N 3.21Å; L153-V156 VanDerWaalsContact O-N 3.11Å; K154-V156 VanDerWaalsContact C-N 3.28Å; K154-V156 PolarHBondContact O-N 3.07Å; V156-A159 PolarHBondContact O-N 3.31Å; V156-L160 VanDerWaalsContact O-CB 3.28Å; V156-L160 WeakPolarHBondContact O-CB 3.38Å; V156-L160 PolarHBondContact O-N 3.27Å; V156-F179 HydrophobicContact CG1-CD2 4.37Å; V156-F179 HydrophobicContact CG1-CE2 3.77Å; V156-E182 HydrophobicContact CG2-CB 3.8Å; V156-M183 HydrophobicContact CG1-CG 4.26Å; V156-M183 HydrophobicContact CG1-SD 3.59Å; V156-M183 VanDerWaalsContact CG1-SD 3.59Å; V156-L186 HydrophobicContact CB-CD2 4.06Å; V156-L186 HydrophobicContact CG1-CD2 4.06Å; V156-L186 HydrophobicContact CG2-CB 3.85Å; V156-L186 HydrophobicContact CG2-CD2 3.79Å; V156-L186 HydrophobicContact CG2-CG 4.42Å; V156-I251 HydrophobicContact CG1-CD1 3.89Å; V156-I251 HydrophobicContact CG1-CG1 4.45Å
157	E	96.5	Very high	95.5	Very high	91 Å²	91	43.2 Å²	43.2	43%	0.425	22%	0.224	S	C	.	.	H	α-helix	trans	-61.3	-44.6	173.4	-71.1	177.7	151.7	0	0	112	L153 K154 L160 E161 I251	L153-E157 WeakPolarHBondContact O-CG 3.35Å; L153-E157 PolarHBondContact O-N 3.45Å; K154-E157 WeakPolarHBondContact O-CB 3.49Å; K154-E157 PolarHBondContact O-N 3.4Å; E157-L160 WeakPolarHBondContact O-CB 3.4Å; E157-L160 PolarHBondContact O-N 3.34Å; E157-E161 WeakPolarHBondContact O-CB 3.25Å; E157-E161 PolarHBondContact O-N 3.3Å; E157-I251 HydrophobicContact CG-CD1 3.83Å; E157-I251 HydrophobicContact CG-CG2 3.6Å; E157-I251 WeakPolarHBondContact OE1-CG2 3.11Å
158	E	97.3	Very high	95.7	Very high	96 Å²	96	46 Å²	46	45%	0.449	24%	0.239	S	C	.	.	H	α-helix	trans	-63.2	-43	176.5	-71.4	173.9	-172.7	0	0	111.2	K154 I155 E161 A162	K154-E158 WeakPolarHBondContact CE-OE1 3.4Å; K154-E158 WeakPolarHBondContact O-CG 3.44Å; K154-E158 PolarHBondContact O-N 3.43Å; I155-E158 PolarHBondContact O-N 3.48Å; E158-E161 PolarHBondContact O-N 2.85Å; E158-A162 PolarHBondContact O-N 2.95Å
159	A	96.7	Very high	95.8	Very high	17 Å²	17	44.7 Å²	44.7	14%	0.14	24%	0.237	C	C	.	.	H	α-helix	trans	-65.3	-38.4	175	0	0	0	0	0	112.3	I155 V156 A162 V163 F179	I155-A159 WeakPolarHBondContact O-CB 3.38Å; I155-A159 PolarHBondContact O-N 3.06Å; V156-A159 PolarHBondContact O-N 3.31Å; A159-A162 WeakPolarHBondContact O-CB 3.35Å; A159-A162 PolarHBondContact O-N 3.01Å; A159-V163 WeakPolarHBondContact O-CG2 3.43Å; A159-V163 PolarHBondContact O-N 3.29Å; A159-F179 HydrophobicContact CB-CB 4.23Å; A159-F179 HydrophobicContact CB-CD2 4.14Å
160	L	97.2	Very high	95.9	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.016	26%	0.264	C	S	.	.	H	α-helix	trans	-62.8	-47.1	174.8	179.2	65.3	0	0	0	111.1	V156 E157 A162 V163 K164 F179 L220 F244 V247 Q248 I251	V156-L160 VanDerWaalsContact O-CB 3.28Å; V156-L160 WeakPolarHBondContact O-CB 3.38Å; V156-L160 PolarHBondContact O-N 3.27Å; E157-L160 WeakPolarHBondContact O-CB 3.4Å; E157-L160 PolarHBondContact O-N 3.34Å; L160-A162 PolarHBondContact O-N 3.34Å; L160-V163 WeakPolarHBondContact O-CB 3.32Å; L160-V163 PolarHBondContact O-N 3.23Å; L160-K164 PolarHBondContact O-N 3.02Å; L160-F179 HydrophobicContact CB-CD2 4.23Å; L160-F179 HydrophobicContact CB-CE2 3.95Å; L160-F179 HydrophobicContact CD1-CE2 4.03Å; L160-F179 HydrophobicContact CD1-CZ 4.25Å; L160-L220 HydrophobicContact CD1-CD1 4.31Å; L160-L220 HydrophobicContact CD1-CD2 3.5Å; L160-F244 HydrophobicContact CD1-CD1 3.63Å; L160-F244 HydrophobicContact CD1-CE1 3.5Å; L160-F244 HydrophobicContact CD2-CD1 4.45Å; L160-F244 HydrophobicContact CG-CD1 3.88Å; L160-F244 HydrophobicContact CG-CE1 3.94Å; L160-F244 WeakPolarHBondContact O-CE1 3.44Å; L160-V247 HydrophobicContact CD1-CB 4.27Å; L160-V247 HydrophobicContact CD1-CG1 3.84Å; L160-V247 HydrophobicContact CD2-CB 4.03Å; L160-V247 HydrophobicContact CD2-CG1 3.58Å; L160-V247 HydrophobicContact CG-CG1 4.33Å; L160-Q248 HydrophobicContact CD2-CG 3.78Å; L160-I251 HydrophobicContact CD2-CD1 4.02Å
161	E	96.8	Very high	96	Very high	73 Å²	73	51.4 Å²	51.4	34%	0.341	27%	0.269	S	S	.	.	H	α-helix	trans	-63.7	-33.4	176.8	-170.1	56.7	-146.2	0	0	111.1	E157 E158 K164 N165	E157-E161 WeakPolarHBondContact O-CB 3.25Å; E157-E161 PolarHBondContact O-N 3.3Å; E158-E161 PolarHBondContact O-N 2.85Å; E161-K164 WeakPolarHBondContact O-CB 3.34Å; E161-K164 PolarHBondContact O-N 3.5Å; E161-N165 WeakPolarHBondContact O-CB 3.42Å; E161-N165 PolarHBondContact O-N 3.17Å; E161-N165 VanDerWaalsContact O-N 3.09Å; E161-N165 PolarHBondContact O-ND2 2.98Å; E161-N165 PolarHBondContact OE1-ND2 3.47Å
162	A	97	Very high	96.2	Very high	33 Å²	33	49.3 Å²	49.3	27%	0.273	26%	0.255	S	S	.	.	H	α-helix	trans	-62.5	-45.1	170.4	0	0	0	0	0	111.5	E158 A159 L160 K164 N165 A166 R175	E158-A162 PolarHBondContact O-N 2.95Å; A159-A162 WeakPolarHBondContact O-CB 3.35Å; A159-A162 PolarHBondContact O-N 3.01Å; L160-A162 PolarHBondContact O-N 3.34Å; A162-K164 VanDerWaalsContact C-N 3.31Å; A162-K164 PolarHBondContact O-N 2.96Å; A162-N165 CarbonylContact O-C 3.59Å; A162-N165 PolarHBondContact O-N 3.25Å; A162-A166 PolarHBondContact O-N 3.43Å; A162-R175 VanDerWaalsContact C-CD 3.5Å; A162-R175 WeakPolarHBondContact O-CD 3.29Å; A162-R175 PolarHBondContact O-NH1 3.38Å
163	V	96.8	Very high	96.2	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.012	26%	0.257	C	S	.	.	H	α-helix	trans	-58.2	-42.7	174.8	174.8	0	0	0	0	111.1	A159 L160 N165 A166 L172 R175 F176 F179 L220 F244	A159-V163 WeakPolarHBondContact O-CG2 3.43Å; A159-V163 PolarHBondContact O-N 3.29Å; L160-V163 WeakPolarHBondContact O-CB 3.32Å; L160-V163 PolarHBondContact O-N 3.23Å; V163-N165 VanDerWaalsContact C-N 3.28Å; V163-N165 PolarHBondContact O-N 3.38Å; V163-A166 VanDerWaalsContact O-CB 3.27Å; V163-A166 WeakPolarHBondContact O-CB 3.38Å; V163-A166 PolarHBondContact O-N 3.06Å; V163-L172 HydrophobicContact CG1-CD1 3.7Å; V163-R175 HydrophobicContact CG2-CB 4.14Å; V163-F176 HydrophobicContact CG1-CD2 4.25Å; V163-F176 HydrophobicContact CG2-CB 4.47Å; V163-F176 HydrophobicContact CG2-CD2 4.43Å; V163-F179 HydrophobicContact CG2-CB 3.78Å; V163-F179 HydrophobicContact CG2-CG 4.23Å; V163-L220 HydrophobicContact CG1-CD2 4.32Å; V163-L220 HydrophobicContact CG1-CG 4.39Å; V163-F244 HydrophobicContact CB-CZ 4.41Å; V163-F244 HydrophobicContact CG1-CE1 4.5Å; V163-F244 HydrophobicContact CG1-CZ 4.03Å
164	K	94.9	Very high	96.3	Very high	67 Å²	67	52.4 Å²	52.4	29%	0.291	28%	0.277	S	S	.	.	H	α-helix	trans	-59.4	-39.4	177.6	-165.9	177.5	174	-175.6	0	113.2	L160 E161 A162 A166 F244	L160-K164 PolarHBondContact O-N 3.02Å; E161-K164 WeakPolarHBondContact O-CB 3.34Å; E161-K164 PolarHBondContact O-N 3.5Å; A162-K164 VanDerWaalsContact C-N 3.31Å; A162-K164 PolarHBondContact O-N 2.96Å; K164-A166 VanDerWaalsContact C-N 3.3Å; K164-F244 HydrophobicContact CB-CD1 4.03Å; K164-F244 HydrophobicContact CB-CE1 3.4Å; K164-F244 VanDerWaalsContact CB-CE1 3.4Å; K164-F244 HydrophobicContact CB-CE2 3.99Å; K164-F244 HydrophobicContact CB-CZ 3.41Å; K164-F244 VanDerWaalsContact CB-CZ 3.41Å; K164-F244 HydrophobicContact CD-CD1 4.23Å; K164-F244 HydrophobicContact CD-CE1 4.42Å; K164-F244 HydrophobicContact CD-CG 4.33Å; K164-F244 HydrophobicContact CG-CD1 4.21Å; K164-F244 HydrophobicContact CG-CD2 4.11Å; K164-F244 HydrophobicContact CG-CE1 3.98Å; K164-F244 HydrophobicContact CG-CE2 3.89Å; K164-F244 HydrophobicContact CG-CG 4.3Å; K164-F244 HydrophobicContact CG-CZ 3.85Å; K164-F244 VanDerWaalsContact N-CZ 3.31Å
165	N	95.2	Very high	96.4	Very high	87 Å²	87	53.3 Å²	53.3	47%	0.465	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	15.2	-177.9	-65.5	-49.6	0	0	0	113	E161 A162 V163 R175	E161-N165 WeakPolarHBondContact O-CB 3.42Å; E161-N165 PolarHBondContact O-N 3.17Å; E161-N165 VanDerWaalsContact O-N 3.09Å; E161-N165 PolarHBondContact O-ND2 2.98Å; E161-N165 PolarHBondContact OE1-ND2 3.47Å; A162-N165 CarbonylContact O-C 3.59Å; A162-N165 PolarHBondContact O-N 3.25Å; V163-N165 VanDerWaalsContact C-N 3.28Å; V163-N165 PolarHBondContact O-N 3.38Å; N165-R175 PolarHBondContact O-NH1 2.85Å
166	A	96.4	Very high	96.4	Very high	12 Å²	12	52.4 Å²	52.4	10%	0.099	27%	0.273	C	S	.	.			trans	-60.3	140.7	171	0	0	0	0	0	109.9	A162 V163 K164 D171 L172 L228	A162-A166 PolarHBondContact O-N 3.43Å; V163-A166 VanDerWaalsContact O-CB 3.27Å; V163-A166 WeakPolarHBondContact O-CB 3.38Å; V163-A166 PolarHBondContact O-N 3.06Å; K164-A166 VanDerWaalsContact C-N 3.3Å; A166-D171 WeakPolarHBondContact CA-OD2 3.47Å; A166-L172 HydrophobicContact CB-CB 3.86Å; A166-L172 HydrophobicContact CB-CD1 4.07Å; A166-L228 HydrophobicContact CB-CD1 4.36Å; A166-L228 WeakPolarHBondContact O-CD2 3.31Å
167	T	94.5	Very high	96.4	Very high	104 Å²	104	59 Å²	59	64%	0.638	30%	0.302	S	S	*	.			trans	-101.8	-22.2	-173.3	56	0	0	0	0	113.7	D171	T167-D171 PolarHBondContact N-OD2 3.37Å; T167-D171 PolarHBondContact OG1-OD2 3.1Å
168	N	95.7	Very high	96.4	Very high	78 Å²	78	60.2 Å²	60.2	42%	0.417	31%	0.307	S	S	.	.	S	Bend	trans	-155.5	169.3	-178.7	63.3	76.9	0	0	0	110.2	Q170 D171 L172	N168-Q170 VanDerWaalsContact C-N 3.35Å; N168-Q170 PolarHBondContact O-N 3.39Å; N168-Q170 WeakPolarHBondContact OD1-CB 3.4Å; N168-Q170 PolarHBondContact OD1-N 3.25Å; N168-Q170 VanDerWaalsContact OD1-N 3.14Å; N168-D171 WeakPolarHBondContact O-CB 3.47Å; N168-D171 PolarHBondContact O-N 2.99Å; N168-D171 PolarHBondContact OD1-N 3.26Å; N168-L172 WeakPolarHBondContact O-CB 3.49Å; N168-L172 PolarHBondContact O-N 2.91Å
169	E	94.1	Very high	96.4	Very high	67 Å²	67	55.7 Å²	55.7	31%	0.313	29%	0.286	S	S	.	.	H	α-helix	trans	-62.2	-36.8	-174.2	-65	-179.3	-167.8	0	0	113.7	L172 A173 Q225 R229	E169-L172 PolarHBondContact O-N 2.97Å; E169-A173 WeakPolarHBondContact O-CB 3.35Å; E169-A173 PolarHBondContact O-N 3.48Å; E169-Q225 HydrophobicContact CG-CG 4.26Å; E169-R229 WeakPolarHBondContact OE1-CD 3.44Å; E169-R229 IonicContact OE1-NH1 3.48Å
170	Q	95.4	Very high	96.4	Very high	125 Å²	125	56.2 Å²	56.2	58%	0.584	29%	0.293	S	S	*	.	H	α-helix	trans	-69.9	-41.5	178.5	-175	61.7	49.7	0	0	111.3	N168 A173 N174	N168-Q170 VanDerWaalsContact C-N 3.35Å; N168-Q170 PolarHBondContact O-N 3.39Å; N168-Q170 WeakPolarHBondContact OD1-CB 3.4Å; N168-Q170 PolarHBondContact OD1-N 3.25Å; N168-Q170 VanDerWaalsContact OD1-N 3.14Å; Q170-A173 PolarHBondContact O-N 3.44Å; Q170-N174 PolarHBondContact NE2-OD1 2.93Å; Q170-N174 VanDerWaalsContact O-CG 3.24Å; Q170-N174 PolarHBondContact O-N 2.85Å; Q170-N174 PolarHBondContact O-ND2 3.45Å
171	D	97.4	Very high	96.4	Very high	30 Å²	30	61.8 Å²	61.8	16%	0.16	32%	0.317	C	S	.	.	H	α-helix	trans	-61.6	-45.1	172.8	-175.1	29.4	0	0	0	110.7	A166 T167 N168 A173 N174 R175	A166-D171 WeakPolarHBondContact CA-OD2 3.47Å; T167-D171 PolarHBondContact N-OD2 3.37Å; T167-D171 PolarHBondContact OG1-OD2 3.1Å; N168-D171 WeakPolarHBondContact O-CB 3.47Å; N168-D171 PolarHBondContact O-N 2.99Å; N168-D171 PolarHBondContact OD1-N 3.26Å; D171-A173 PolarHBondContact O-N 3.01Å; D171-N174 PolarHBondContact O-N 2.81Å; D171-R175 WeakPolarHBondContact O-CG 3.29Å; D171-R175 PolarHBondContact O-N 2.94Å; D171-R175 IonicContact OD1-CZ 3.82Å; D171-R175 IonicContact OD1-NE 3.9Å; D171-R175 PolarHBondContact OD1-NE 3.4Å; D171-R175 IonicContact OD1-NH2 2.77Å; D171-R175 PolarHBondContact OD1-NH2 2.91Å; D171-R175 IonicContact OD2-CZ 3.98Å; D171-R175 IonicContact OD2-NE 2.69Å; D171-R175 PolarHBondContact OD2-NE 3.14Å; D171-R175 IonicContact OD2-NH2 3.09Å; D171-R175 PolarHBondContact OD2-NH2 3.2Å
172	L	97.6	Very high	96.4	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-57.4	-49	174.1	176.3	64.3	0	0	0	111.5	V163 A166 N168 E169 N174 R175 F176 Y221 Q225 L228	V163-L172 HydrophobicContact CG1-CD1 3.7Å; A166-L172 HydrophobicContact CB-CB 3.86Å; A166-L172 HydrophobicContact CB-CD1 4.07Å; N168-L172 WeakPolarHBondContact O-CB 3.49Å; N168-L172 PolarHBondContact O-N 2.91Å; E169-L172 PolarHBondContact O-N 2.97Å; L172-N174 VanDerWaalsContact C-N 3.31Å; L172-N174 PolarHBondContact O-N 3.49Å; L172-R175 PolarHBondContact O-N 3.2Å; L172-F176 WeakPolarHBondContact O-CB 3.38Å; L172-F176 PolarHBondContact O-N 3.03Å; L172-Y221 HydrophobicContact CD2-CD2 4.41Å; L172-Y221 HydrophobicContact CD2-CE2 4.26Å; L172-Y221 HydrophobicContact CG-CD2 4.34Å; L172-Y221 HydrophobicContact CG-CE2 4.13Å; L172-Q225 HydrophobicContact CD2-CB 3.88Å; L172-Q225 HydrophobicContact CD2-CG 4.43Å; L172-L228 HydrophobicContact CB-CD1 3.74Å; L172-L228 HydrophobicContact CD2-CD1 3.81Å; L172-L228 HydrophobicContact CG-CD1 4.28Å
173	A	96.6	Very high	96.3	Very high	30 Å²	30	59.6 Å²	59.6	25%	0.248	30%	0.302	C	S	.	.	H	α-helix	trans	-59.8	-41.4	179.4	0	0	0	0	0	112.1	E169 Q170 D171 K177	E169-A173 WeakPolarHBondContact O-CB 3.35Å; E169-A173 PolarHBondContact O-N 3.48Å; Q170-A173 PolarHBondContact O-N 3.44Å; D171-A173 PolarHBondContact O-N 3.01Å; A173-K177 WeakPolarHBondContact O-CB 3.45Å; A173-K177 PolarHBondContact O-N 3.31Å
174	N	97.5	Very high	96.3	Very high	81 Å²	81	64.5 Å²	64.5	43%	0.433	33%	0.331	S	S	.	.	H	α-helix	trans	-65.7	-50.1	177.2	-69.7	-20.4	0	0	0	111.7	Q170 D171 L172 F176 K177 E178	Q170-N174 PolarHBondContact NE2-OD1 2.93Å; Q170-N174 VanDerWaalsContact O-CG 3.24Å; Q170-N174 PolarHBondContact O-N 2.85Å; Q170-N174 PolarHBondContact O-ND2 3.45Å; D171-N174 PolarHBondContact O-N 2.81Å; L172-N174 VanDerWaalsContact C-N 3.31Å; L172-N174 PolarHBondContact O-N 3.49Å; N174-F176 PolarHBondContact O-N 2.99Å; N174-K177 WeakPolarHBondContact O-CB 3.3Å; N174-K177 PolarHBondContact O-N 3.35Å; N174-E178 PolarHBondContact O-N 3.22Å; N174-E178 VanDerWaalsContact O-N 3.15Å
175	R	97.5	Very high	96.3	Very high	60 Å²	60	66.1 Å²	66.1	23%	0.226	34%	0.338	C	S	.	.	H	α-helix	trans	-66.1	-38	179.7	-65.6	-173.8	-166	-164.7	6.3	112.3	A162 V163 N165 D171 L172 K177 E178 F179	A162-R175 VanDerWaalsContact C-CD 3.5Å; A162-R175 WeakPolarHBondContact O-CD 3.29Å; A162-R175 PolarHBondContact O-NH1 3.38Å; V163-R175 HydrophobicContact CG2-CB 4.14Å; N165-R175 PolarHBondContact O-NH1 2.85Å; D171-R175 WeakPolarHBondContact O-CG 3.29Å; D171-R175 PolarHBondContact O-N 2.94Å; D171-R175 IonicContact OD1-CZ 3.82Å; D171-R175 IonicContact OD1-NE 3.9Å; D171-R175 PolarHBondContact OD1-NE 3.4Å; D171-R175 IonicContact OD1-NH2 2.77Å; D171-R175 PolarHBondContact OD1-NH2 2.91Å; D171-R175 IonicContact OD2-CZ 3.98Å; D171-R175 IonicContact OD2-NE 2.69Å; D171-R175 PolarHBondContact OD2-NE 3.14Å; D171-R175 IonicContact OD2-NH2 3.09Å; D171-R175 PolarHBondContact OD2-NH2 3.2Å; L172-R175 PolarHBondContact O-N 3.2Å; R175-K177 VanDerWaalsContact C-N 3.32Å; R175-K177 PolarHBondContact O-N 3.28Å; R175-E178 WeakPolarHBondContact O-CB 3.41Å; R175-E178 PolarHBondContact O-N 2.95Å; R175-F179 WeakPolarHBondContact O-CB 3.44Å; R175-F179 PolarHBondContact O-N 3.02Å
176	F	97.3	Very high	96.4	Very high	43 Å²	43	62 Å²	62	19%	0.189	32%	0.316	C	S	.	.	H	α-helix	trans	-67.7	-34.7	176.9	-169	-97.4	0	0	0	111.8	V163 L172 N174 E178 F179 G180 A217 L220 Y221	V163-F176 HydrophobicContact CG1-CD2 4.25Å; V163-F176 HydrophobicContact CG2-CB 4.47Å; V163-F176 HydrophobicContact CG2-CD2 4.43Å; L172-F176 WeakPolarHBondContact O-CB 3.38Å; L172-F176 PolarHBondContact O-N 3.03Å; N174-F176 PolarHBondContact O-N 2.99Å; F176-E178 VanDerWaalsContact C-N 3.33Å; F176-F179 HydrophobicContact CD2-CD1 4.15Å; F176-F179 HydrophobicContact CE2-CD1 4Å; F176-F179 HydrophobicContact CE2-CE1 4.31Å; F176-F179 PolarHBondContact O-N 3.45Å; F176-G180 PolarHBondContact O-N 3.47Å; F176-A217 WeakPolarHBondContact CE2-O 3.29Å; F176-A217 VanDerWaalsContact CZ-O 3.24Å; F176-A217 WeakPolarHBondContact CZ-O 3.44Å; F176-L220 HydrophobicContact CE2-CB 4.4Å; F176-L220 HydrophobicContact CE2-CD2 4.17Å; F176-L220 HydrophobicContact CE2-CG 4.4Å; F176-Y221 HydrophobicContact CB-CD2 3.9Å; F176-Y221 HydrophobicContact CB-CE2 4.24Å; F176-Y221 AromaticContact CD1-CD2 3.6Å; F176-Y221 HydrophobicContact CD1-CD2 3.6Å; F176-Y221 HydrophobicContact CD1-CE2 4.26Å; F176-Y221 HydrophobicContact CD1-CG 4.21Å; F176-Y221 AromaticContact CD2-CD2 3.95Å; F176-Y221 HydrophobicContact CD2-CD2 3.95Å; F176-Y221 HydrophobicContact CE1-CD2 4.09Å; F176-Y221 HydrophobicContact CE1-CG 4.24Å; F176-Y221 HydrophobicContact CE2-CD2 4.4Å; F176-Y221 AromaticContact CG-CD2 3.53Å; F176-Y221 HydrophobicContact CG-CD2 3.53Å; F176-Y221 HydrophobicContact CG-CE2 4.27Å; F176-Y221 HydrophobicContact CG-CG 4.37Å; F176-Y221 HydrophobicContact CZ-CD2 4.47Å; F176-Y221 HydrophobicContact CZ-CG 4.43Å
177	K	97.1	Very high	96.4	Very high	141 Å²	141	65 Å²	65	61%	0.613	33%	0.331	S	S	*	.	H	α-helix	trans	-63.6	-38.1	171.6	-176	179.6	-176.7	176.9	0	112	A173 N174 R175 K181	A173-K177 WeakPolarHBondContact O-CB 3.45Å; A173-K177 PolarHBondContact O-N 3.31Å; N174-K177 WeakPolarHBondContact O-CB 3.3Å; N174-K177 PolarHBondContact O-N 3.35Å; R175-K177 VanDerWaalsContact C-N 3.32Å; R175-K177 PolarHBondContact O-N 3.28Å; K177-K181 WeakPolarHBondContact O-CG 3.47Å; K177-K181 PolarHBondContact O-N 2.97Å
178	E	96.5	Very high	96.5	Very high	115 Å²	115	67.5 Å²	67.5	54%	0.537	33%	0.329	S	S	.	.	H	α-helix	trans	-68	-49	173.9	-69.7	178.3	174.4	0	0	111.5	N174 R175 F176 G180 K181 E182	N174-E178 PolarHBondContact O-N 3.22Å; N174-E178 VanDerWaalsContact O-N 3.15Å; R175-E178 WeakPolarHBondContact O-CB 3.41Å; R175-E178 PolarHBondContact O-N 2.95Å; F176-E178 VanDerWaalsContact C-N 3.33Å; E178-G180 VanDerWaalsContact C-N 3.28Å; E178-G180 PolarHBondContact O-N 3.4Å; E178-K181 WeakPolarHBondContact O-CB 3.44Å; E178-K181 PolarHBondContact O-N 3.2Å; E178-E182 PolarHBondContact O-N 2.86Å; E178-E182 VanDerWaalsContact O-N 3.12Å
179	F	97.1	Very high	96.4	Very high	2 Å²	2	64.4 Å²	64.4	1%	0.009	31%	0.314	C	S	.	.	H	α-helix	trans	-52	-46.2	172.8	173	-103.7	0	0	0	111.9	V156 A159 L160 V163 R175 F176 K181 E182 M183 L220 V247	V156-F179 HydrophobicContact CG1-CD2 4.37Å; V156-F179 HydrophobicContact CG1-CE2 3.77Å; A159-F179 HydrophobicContact CB-CB 4.23Å; A159-F179 HydrophobicContact CB-CD2 4.14Å; L160-F179 HydrophobicContact CB-CD2 4.23Å; L160-F179 HydrophobicContact CB-CE2 3.95Å; L160-F179 HydrophobicContact CD1-CE2 4.03Å; L160-F179 HydrophobicContact CD1-CZ 4.25Å; V163-F179 HydrophobicContact CG2-CB 3.78Å; V163-F179 HydrophobicContact CG2-CG 4.23Å; R175-F179 WeakPolarHBondContact O-CB 3.44Å; R175-F179 PolarHBondContact O-N 3.02Å; F176-F179 HydrophobicContact CD2-CD1 4.15Å; F176-F179 HydrophobicContact CE2-CD1 4Å; F176-F179 HydrophobicContact CE2-CE1 4.31Å; F176-F179 PolarHBondContact O-N 3.45Å; F179-K181 VanDerWaalsContact C-N 3.33Å; F179-K181 PolarHBondContact O-N 3.41Å; F179-E182 PolarHBondContact O-N 3.24Å; F179-M183 HydrophobicContact CD1-CG 4.04Å; F179-M183 HydrophobicContact CD2-CG 4.11Å; F179-M183 HydrophobicContact CE1-CG 3.65Å; F179-M183 HydrophobicContact CE1-SD 4.34Å; F179-M183 HydrophobicContact CE2-CG 3.72Å; F179-M183 HydrophobicContact CE2-SD 3.96Å; F179-M183 HydrophobicContact CG-CG 4.26Å; F179-M183 HydrophobicContact CZ-CE 4.27Å; F179-M183 HydrophobicContact CZ-CG 3.47Å; F179-M183 VanDerWaalsContact CZ-CG 3.47Å; F179-M183 HydrophobicContact CZ-SD 3.66Å; F179-M183 WeakPolarHBondContact O-CB 3.44Å; F179-M183 VanDerWaalsContact O-CG 3.23Å; F179-M183 WeakPolarHBondContact O-CG 3.46Å; F179-M183 PolarHBondContact O-N 3.18Å; F179-L220 HydrophobicContact CD1-CD2 4.43Å; F179-L220 HydrophobicContact CE1-CD2 3.9Å; F179-L220 HydrophobicContact CZ-CD2 4.13Å; F179-V247 HydrophobicContact CZ-CG1 4.24Å
180	G	95.9	Very high	96.6	Very high	28 Å²	28	61.2 Å²	61.2	29%	0.289	30%	0.299	S	S	.	.	H	α-helix	trans	-59.6	-38.5	177	0	0	0	0	0	113.7	F176 E178 V184	F176-G180 PolarHBondContact O-N 3.47Å; E178-G180 VanDerWaalsContact C-N 3.28Å; E178-G180 PolarHBondContact O-N 3.4Å; G180-V184 WeakPolarHBondContact O-CG2 3.41Å; G180-V184 PolarHBondContact O-N 2.88Å; G180-V184 VanDerWaalsContact O-N 3.12Å
181	K	97.1	Very high	96.6	Very high	119 Å²	119	56.2 Å²	56.2	52%	0.517	28%	0.278	S	S	.	.	H	α-helix	trans	-65.5	-44.7	175.7	-70.4	171.2	-177.2	177.1	0	111.7	K177 E178 F179 V184 K185	K177-K181 WeakPolarHBondContact O-CG 3.47Å; K177-K181 PolarHBondContact O-N 2.97Å; E178-K181 WeakPolarHBondContact O-CB 3.44Å; E178-K181 PolarHBondContact O-N 3.2Å; F179-K181 VanDerWaalsContact C-N 3.33Å; F179-K181 PolarHBondContact O-N 3.41Å; K181-V184 PolarHBondContact O-N 2.95Å; K181-K185 PolarHBondContact O-N 3.01Å
182	E	96.8	Very high	96.5	Very high	37 Å²	37	58.6 Å²	58.6	17%	0.173	29%	0.285	C	S	.	.	H	α-helix	trans	-69.3	-36.4	179.5	-60.2	-50	130	0	0	111.5	I155 V156 E178 F179 V184 K185 L186	I155-E182 HydrophobicContact CG2-CB 4.2Å; I155-E182 HydrophobicContact CG2-CG 3.73Å; V156-E182 HydrophobicContact CG2-CB 3.8Å; E178-E182 PolarHBondContact O-N 2.86Å; E178-E182 VanDerWaalsContact O-N 3.12Å; F179-E182 PolarHBondContact O-N 3.24Å; E182-V184 VanDerWaalsContact C-N 3.34Å; E182-V184 PolarHBondContact O-N 3.38Å; E182-K185 VanDerWaalsContact CD-NZ 3.31Å; E182-K185 PolarHBondContact O-N 3.36Å; E182-K185 IonicContact OE1-NZ 2.78Å; E182-K185 PolarHBondContact OE1-NZ 3.24Å; E182-K185 WeakPolarHBondContact OE2-CD 3.34Å; E182-K185 IonicContact OE2-NZ 3.34Å; E182-K185 PolarHBondContact OE2-NZ 2.99Å; E182-K185 VanDerWaalsContact OE2-NZ 3.09Å; E182-L186 WeakPolarHBondContact O-CB 3.27Å; E182-L186 PolarHBondContact O-N 2.95Å
183	M	95.7	Very high	96.4	Very high	24 Å²	24	59 Å²	59	12%	0.118	29%	0.287	C	S	.	.	H	α-helix	trans	-59.3	-40.3	172.6	-78.7	-71.1	-69.4	0	0	113	V156 F179 L186 N187 L213	V156-M183 HydrophobicContact CG1-CG 4.26Å; V156-M183 HydrophobicContact CG1-SD 3.59Å; V156-M183 VanDerWaalsContact CG1-SD 3.59Å; F179-M183 HydrophobicContact CD1-CG 4.04Å; F179-M183 HydrophobicContact CD2-CG 4.11Å; F179-M183 HydrophobicContact CE1-CG 3.65Å; F179-M183 HydrophobicContact CE1-SD 4.34Å; F179-M183 HydrophobicContact CE2-CG 3.72Å; F179-M183 HydrophobicContact CE2-SD 3.96Å; F179-M183 HydrophobicContact CG-CG 4.26Å; F179-M183 HydrophobicContact CZ-CE 4.27Å; F179-M183 HydrophobicContact CZ-CG 3.47Å; F179-M183 VanDerWaalsContact CZ-CG 3.47Å; F179-M183 HydrophobicContact CZ-SD 3.66Å; F179-M183 WeakPolarHBondContact O-CB 3.44Å; F179-M183 VanDerWaalsContact O-CG 3.23Å; F179-M183 WeakPolarHBondContact O-CG 3.46Å; F179-M183 PolarHBondContact O-N 3.18Å; M183-L186 PolarHBondContact O-N 3.2Å; M183-L186 HydrophobicContact SD-CD2 4.48Å; M183-N187 VanDerWaalsContact O-CB 3.25Å; M183-N187 WeakPolarHBondContact O-CB 3.43Å; M183-N187 PolarHBondContact O-N 2.89Å; M183-L213 HydrophobicContact CE-CB 3.68Å; M183-L213 HydrophobicContact CE-CD1 3.99Å; M183-L213 HydrophobicContact CE-CD2 4.04Å; M183-L213 HydrophobicContact CE-CG 4.12Å; M183-L213 HydrophobicContact SD-CD1 4.24Å; M183-L213 HydrophobicContact SD-CD2 4.37Å
184	V	96	Very high	96.4	Very high	105 Å²	105	59.3 Å²	59.3	64%	0.636	28%	0.283	S	S	*	.	H	α-helix	trans	-63.4	-43.5	175.7	170.1	0	0	0	0	111.1	G180 K181 E182 N187 Y188	G180-V184 WeakPolarHBondContact O-CG2 3.41Å; G180-V184 PolarHBondContact O-N 2.88Å; G180-V184 VanDerWaalsContact O-N 3.12Å; K181-V184 PolarHBondContact O-N 2.95Å; E182-V184 VanDerWaalsContact C-N 3.34Å; E182-V184 PolarHBondContact O-N 3.38Å; V184-N187 PolarHBondContact O-N 3.11Å; V184-Y188 PolarHBondContact O-N 3.03Å; V184-Y188 VanDerWaalsContact O-N 3.12Å
185	K	95.9	Very high	96.2	Very high	100 Å²	100	62.5 Å²	62.5	44%	0.435	30%	0.295	S	S	.	.	H	α-helix	trans	-64.2	-47.3	176.8	-63.3	176	-166.9	161.9	0	111.4	K181 E182 N187 Y188 V189	K181-K185 PolarHBondContact O-N 3.01Å; E182-K185 VanDerWaalsContact CD-NZ 3.31Å; E182-K185 PolarHBondContact O-N 3.36Å; E182-K185 IonicContact OE1-NZ 2.78Å; E182-K185 PolarHBondContact OE1-NZ 3.24Å; E182-K185 WeakPolarHBondContact OE2-CD 3.34Å; E182-K185 IonicContact OE2-NZ 3.34Å; E182-K185 PolarHBondContact OE2-NZ 2.99Å; E182-K185 VanDerWaalsContact OE2-NZ 3.09Å; K185-N187 VanDerWaalsContact C-N 3.33Å; K185-N187 PolarHBondContact O-N 3.31Å; K185-Y188 PolarHBondContact O-N 2.99Å; K185-V189 PolarHBondContact O-N 3.46Å; K185-V189 VanDerWaalsContact O-N 3.14Å
186	L	97.1	Very high	96	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-57.6	-47.6	176.8	172.6	62	0	0	0	110.7	L149 H152 L153 V156 E182 M183 Y188 V189 A190 L213	L149-L186 HydrophobicContact CD1-CD1 3.69Å; H152-L186 HydrophobicContact CB-CD1 4.16Å; L153-L186 HydrophobicContact CD2-CD1 3.62Å; L153-L186 HydrophobicContact CD2-CD2 3.72Å; L153-L186 HydrophobicContact CD2-CG 4.3Å; L153-L186 HydrophobicContact CG-CD1 3.71Å; V156-L186 HydrophobicContact CB-CD2 4.06Å; V156-L186 HydrophobicContact CG1-CD2 4.06Å; V156-L186 HydrophobicContact CG2-CB 3.85Å; V156-L186 HydrophobicContact CG2-CD2 3.79Å; V156-L186 HydrophobicContact CG2-CG 4.42Å; E182-L186 WeakPolarHBondContact O-CB 3.27Å; E182-L186 PolarHBondContact O-N 2.95Å; M183-L186 PolarHBondContact O-N 3.2Å; M183-L186 HydrophobicContact SD-CD2 4.48Å; L186-Y188 VanDerWaalsContact C-N 3.27Å; L186-Y188 PolarHBondContact O-N 3.23Å; L186-V189 PolarHBondContact O-N 2.98Å; L186-A190 VanDerWaalsContact O-CB 3.23Å; L186-A190 WeakPolarHBondContact O-CB 3.33Å; L186-A190 PolarHBondContact O-N 3.46Å; L186-L213 HydrophobicContact CD2-CD1 4.05Å
187	N	95.4	Very high	95.8	Very high	76 Å²	76	60 Å²	60	41%	0.406	29%	0.287	S	S	.	.	H	α-helix	trans	-59.7	-37.8	179.9	-179.3	52.7	0	0	0	112.2	M183 V184 K185 A191 R210	M183-N187 VanDerWaalsContact O-CB 3.25Å; M183-N187 WeakPolarHBondContact O-CB 3.43Å; M183-N187 PolarHBondContact O-N 2.89Å; V184-N187 PolarHBondContact O-N 3.11Å; K185-N187 VanDerWaalsContact C-N 3.33Å; K185-N187 PolarHBondContact O-N 3.31Å; N187-A191 WeakPolarHBondContact O-CB 3.41Å; N187-A191 PolarHBondContact O-N 3.22Å; N187-R210 PolarHBondContact OD1-NE 2.85Å; N187-R210 VanDerWaalsContact OD1-NE 3.11Å; N187-R210 PolarHBondContact OD1-NH2 3.18Å
188	Y	96	Very high	95.5	Very high	155 Å²	155	57.4 Å²	57.4	61%	0.608	28%	0.276	S	S	*	.	H	α-helix	trans	-64.1	-49.6	175.5	177.8	-98.1	0	0	0	112.3	V184 K185 L186 A191 R192	V184-Y188 PolarHBondContact O-N 3.03Å; V184-Y188 VanDerWaalsContact O-N 3.12Å; K185-Y188 PolarHBondContact O-N 2.99Å; L186-Y188 VanDerWaalsContact C-N 3.27Å; L186-Y188 PolarHBondContact O-N 3.23Å; Y188-A191 PolarHBondContact O-N 2.83Å; Y188-R192 PolarHBondContact O-N 3.39Å; Y188-R192 VanDerWaalsContact O-N 3.12Å
189	V	95.4	Very high	95.1	Very high	14 Å²	14	55.2 Å²	55.2	9%	0.085	27%	0.268	C	S	.	.	H	α-helix	trans	-68.3	-40.2	-178.5	-176.5	0	0	0	0	111.3	L149 K185 L186 R192 R193	L149-V189 HydrophobicContact CB-CG1 4Å; L149-V189 HydrophobicContact CD1-CB 4.25Å; L149-V189 HydrophobicContact CD1-CG1 3.96Å; K185-V189 PolarHBondContact O-N 3.46Å; K185-V189 VanDerWaalsContact O-N 3.14Å; L186-V189 PolarHBondContact O-N 2.98Å; V189-R192 PolarHBondContact O-N 3.13Å; V189-R193 PolarHBondContact O-N 3.47Å
190	A	96.8	Very high	94.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66.1	-40.4	175.5	0	0	0	0	0	111.9	L149 L186 R192 R193 Q194 R210 I254	L149-A190 HydrophobicContact CD1-CB 4.12Å; L186-A190 VanDerWaalsContact O-CB 3.23Å; L186-A190 WeakPolarHBondContact O-CB 3.33Å; L186-A190 PolarHBondContact O-N 3.46Å; A190-R192 VanDerWaalsContact C-N 3.34Å; A190-R192 PolarHBondContact O-N 2.74Å; A190-R193 PolarHBondContact O-N 2.91Å; A190-Q194 WeakPolarHBondContact O-CB 3.08Å; A190-Q194 PolarHBondContact O-N 3.4Å; A190-R210 HydrophobicContact CB-CG 4.19Å; A190-I254 HydrophobicContact CB-CD1 4.49Å; A190-I254 HydrophobicContact CB-CG2 4.11Å
191	A	96.6	Very high	94.1	Very high	19 Å²	19	59.1 Å²	59.1	16%	0.157	28%	0.284	C	S	.	.	H	α-helix	trans	-60.3	-44.4	175.8	0	0	0	0	0	112.1	N187 Y188 Q194 Q195	N187-A191 WeakPolarHBondContact O-CB 3.41Å; N187-A191 PolarHBondContact O-N 3.22Å; Y188-A191 PolarHBondContact O-N 2.83Å; A191-Q194 PolarHBondContact O-N 2.86Å; A191-Q195 WeakPolarHBondContact O-CG 3.29Å; A191-Q195 PolarHBondContact O-N 3.19Å; A191-Q195 VanDerWaalsContact O-N 3.16Å
192	R	95.3	Very high	93.8	Very high	80 Å²	80	53.6 Å²	53.6	30%	0.302	26%	0.261	S	S	.	.	H	α-helix	trans	-64.4	-44.2	177.2	-168.5	-179.3	64.5	-170.9	-2.1	111	Y188 V189 A190 Q194 Q195 E196	Y188-R192 PolarHBondContact O-N 3.39Å; Y188-R192 VanDerWaalsContact O-N 3.12Å; V189-R192 PolarHBondContact O-N 3.13Å; A190-R192 VanDerWaalsContact C-N 3.34Å; A190-R192 PolarHBondContact O-N 2.74Å; R192-Q194 VanDerWaalsContact C-N 3.35Å; R192-Q194 PolarHBondContact O-N 2.93Å; R192-Q195 PolarHBondContact O-N 3.26Å; R192-E196 WeakPolarHBondContact O-CG 3.46Å; R192-E196 PolarHBondContact O-N 3.43Å
193	R	94.9	Very high	93.6	Very high	9 Å²	9	55.4 Å²	55.4	3%	0.034	27%	0.266	C	S	.	.	H	α-helix	trans	-59.6	-45.3	175.7	-176.7	57.3	173.9	-172.6	3.7	111.6	D142 V146 L149 V189 A190 Q195 E196 L197 M206	D142-R193 IonicContact OD1-CZ 3.78Å; D142-R193 IonicContact OD1-NH1 3.05Å; D142-R193 PolarHBondContact OD1-NH1 3.17Å; D142-R193 IonicContact OD1-NH2 3.1Å; D142-R193 IonicContact OD2-CZ 3.72Å; D142-R193 IonicContact OD2-NH1 2.81Å; D142-R193 PolarHBondContact OD2-NH1 2.94Å; D142-R193 VanDerWaalsContact OD2-NH1 3.1Å; D142-R193 IonicContact OD2-NH2 2.69Å; D142-R193 PolarHBondContact OD2-NH2 3.08Å; V146-R193 VanDerWaalsContact CG2-CZ 3.4Å; L149-R193 HydrophobicContact CD2-CB 3.95Å; L149-R193 HydrophobicContact CD2-CG 3.93Å; V189-R193 PolarHBondContact O-N 3.47Å; A190-R193 PolarHBondContact O-N 2.91Å; R193-Q195 VanDerWaalsContact C-N 3.26Å; R193-Q195 PolarHBondContact O-N 2.99Å; R193-E196 PolarHBondContact O-N 3.34Å; R193-L197 HydrophobicContact CG-CD1 4.42Å; R193-L197 HydrophobicContact CG-CG 4.28Å; R193-L197 WeakPolarHBondContact O-CG 2.86Å; R193-L197 PolarHBondContact O-N 3.05Å; R193-M206 HydrophobicContact CB-CE 4.45Å; R193-M206 HydrophobicContact CB-SD 4.05Å; R193-M206 HydrophobicContact CG-CE 3.95Å; R193-M206 HydrophobicContact CG-SD 4.11Å
194	Q	95.6	Very high	93.3	Very high	37 Å²	37	59.3 Å²	59.3	17%	0.173	29%	0.287	C	S	.	.	H	α-helix	trans	-55.2	-41.3	176.8	-175.5	-171.3	-31.5	0	0	112.1	A190 A191 R192 E196 R203 M206	A190-Q194 WeakPolarHBondContact O-CB 3.08Å; A190-Q194 PolarHBondContact O-N 3.4Å; A191-Q194 PolarHBondContact O-N 2.86Å; R192-Q194 VanDerWaalsContact C-N 3.35Å; R192-Q194 PolarHBondContact O-N 2.93Å; Q194-E196 VanDerWaalsContact C-N 3.3Å; Q194-E196 PolarHBondContact O-N 3.04Å; Q194-R203 HydrophobicContact CG-CB 4.35Å; Q194-R203 VanDerWaalsContact O-CD 3.25Å; Q194-R203 WeakPolarHBondContact O-CD 3.38Å; Q194-R203 VanDerWaalsContact O-CG 3.23Å; Q194-R203 WeakPolarHBondContact O-CG 3.33Å; Q194-M206 HydrophobicContact CB-CB 4.43Å; Q194-M206 HydrophobicContact CB-CG 4.06Å; Q194-M206 HydrophobicContact CB-SD 3.77Å; Q194-M206 HydrophobicContact CG-CB 4.35Å; Q194-M206 HydrophobicContact CG-CG 4.45Å; Q194-M206 PolarHBondContact N-SD 3.33Å
195	Q	94.2	Very high	93	Very high	148 Å²	148	55.7 Å²	55.7	69%	0.692	26%	0.263	S	S	*	.	H	α-helix	trans	-70.6	-27.2	179.4	-69.6	173.5	-3.7	0	0	113.1	A191 R192 R193	A191-Q195 WeakPolarHBondContact O-CG 3.29Å; A191-Q195 PolarHBondContact O-N 3.19Å; A191-Q195 VanDerWaalsContact O-N 3.16Å; R192-Q195 PolarHBondContact O-N 3.26Å; R193-Q195 VanDerWaalsContact C-N 3.26Å; R193-Q195 PolarHBondContact O-N 2.99Å
196	E	92.6	Very high	92.9	Very high	46 Å²	46	51 Å²	51	22%	0.215	24%	0.243	C	C	.	.	H	α-helix	trans	-90.4	-22.4	-176.3	-69.4	172.5	169.1	0	0	113.3	T21 L22 R192 R193 Q194	T21-E196 CarbonylContact C-O 3.52Å; T21-E196 WeakPolarHBondContact CA-O 3.29Å; T21-E196 WeakPolarHBondContact CB-O 3.46Å; T21-E196 HydrophobicContact CG2-CB 4.08Å; L22-E196 PolarHBondContact N-O 2.87Å; R192-E196 WeakPolarHBondContact O-CG 3.46Å; R192-E196 PolarHBondContact O-N 3.43Å; R193-E196 PolarHBondContact O-N 3.34Å; Q194-E196 VanDerWaalsContact C-N 3.3Å; Q194-E196 PolarHBondContact O-N 3.04Å
197	L	93.2	Very high	92.8	Very high	5 Å²	5	52.5 Å²	52.5	3%	0.026	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-59.3	135.4	179.6	-78.8	170.3	0	0	0	111.7	R193 C202 R203 M206	R193-L197 HydrophobicContact CG-CD1 4.42Å; R193-L197 HydrophobicContact CG-CG 4.28Å; R193-L197 WeakPolarHBondContact O-CG 2.86Å; R193-L197 PolarHBondContact O-N 3.05Å; L197-C202 HydrophobicContact CD1-CB 4.07Å; L197-R203 HydrophobicContact CB-CG 3.6Å; L197-R203 WeakPolarHBondContact O-CD 3.43Å; L197-R203 PolarHBondContact O-NH1 3.22Å; L197-M206 HydrophobicContact CD1-CE 4.07Å; L197-M206 HydrophobicContact CD1-SD 4.21Å
198	K	90.3	Very high	92.7	Very high	85 Å²	85	51.7 Å²	51.7	37%	0.37	26%	0.259	S	S	.	.	S	Bend	trans	-79.6	-43	179.8	-179.7	175.6	173.8	171.3	0	112.6	R20 L22 E25 P200	R20-K198 WeakPolarHBondContact O-CB 3.45Å; R20-K198 PolarHBondContact O-N 2.77Å; L22-K198 HydrophobicContact CD2-CB 4.32Å; L22-K198 HydrophobicContact CD2-CG 4.23Å; E25-K198 WeakPolarHBondContact OE1-CE 3.41Å; E25-K198 IonicContact OE1-NZ 3.74Å; E25-K198 PolarHBondContact OE1-NZ 3.49Å; E25-K198 WeakPolarHBondContact OE2-CD 3.43Å; E25-K198 WeakPolarHBondContact OE2-CE 3.5Å; E25-K198 IonicContact OE2-NZ 3.23Å; K198-P200 WeakPolarHBondContact O-CD 3.26Å
199	D	88.4	Confident	92.6	Very high	69 Å²	69	44.7 Å²	44.7	37%	0.369	23%	0.234	S	C	.	.			trans	-72.7	118.2	-179.1	175.7	17.8	0	0	0	111	H201 C202 R203	D199-H201 VanDerWaalsContact C-N 3.27Å; D199-H201 PolarHBondContact O-N 3.41Å; D199-H201 PolarHBondContact OD1-N 3.49Å; D199-C202 HydrophobicContact CB-CB 4.11Å; D199-C202 PolarHBondContact O-N 2.66Å; D199-C202 PolarHBondContact OD2-N 2.98Å; D199-C202 PolarHBondContact OD2-SG 3Å; D199-R203 WeakPolarHBondContact O-CG 3.3Å; D199-R203 PolarHBondContact O-N 2.95Å; D199-R203 VanDerWaalsContact O-N 3.15Å
200	P	87.1	Confident	92.7	Very high	68 Å²	68	46.8 Å²	46.8	44%	0.442	24%	0.24	S	C	.	.	H	α-helix	trans	-53.9	-41.6	174.3	-23.3	33.5	0	0	0	113.3	K198 C202 R203 D204	K198-P200 WeakPolarHBondContact O-CD 3.26Å; P200-C202 PolarHBondContact O-N 3.31Å; P200-R203 WeakPolarHBondContact O-CB 3.42Å; P200-R203 PolarHBondContact O-N 3.09Å; P200-D204 VanDerWaalsContact O-CG 3.31Å; P200-D204 PolarHBondContact O-N 2.94Å
201	H	86.4	Confident	92.5	Very high	44 Å²	44	48.7 Å²	48.7	20%	0.204	26%	0.26	C	S	.	.	H	α-helix	trans	-62.4	-48.9	-178.1	173	69	0	0	0	111.3	D199 R203 D204 E205 D265	D199-H201 VanDerWaalsContact C-N 3.27Å; D199-H201 PolarHBondContact O-N 3.41Å; D199-H201 PolarHBondContact OD1-N 3.49Å; H201-R203 PolarHBondContact O-N 2.92Å; H201-D204 PolarHBondContact O-N 2.96Å; H201-E205 IonicContact CE1-OE1 3.87Å; H201-E205 PolarHBondContact CE1-OE1 3.12Å; H201-E205 VanDerWaalsContact NE2-CD 3.28Å; H201-E205 IonicContact NE2-OE1 2.68Å; H201-E205 PolarHBondContact NE2-OE1 3.28Å; H201-E205 IonicContact NE2-OE2 2.95Å; H201-E205 WeakPolarHBondContact O-CG 3.38Å; H201-E205 PolarHBondContact O-N 3.18Å; H201-D265 VanDerWaalsContact CE1-CG 3.4Å; H201-D265 IonicContact CE1-OD1 3.61Å; H201-D265 IonicContact CE1-OD2 2.74Å; H201-D265 PolarHBondContact CE1-OD2 3.21Å; H201-D265 IonicContact ND1-OD2 3.67Å; H201-D265 PolarHBondContact ND1-OD2 3.15Å
202	C	90.3	Very high	92.4	Very high	4 Å²	4	49.2 Å²	49.2	3%	0.027	27%	0.265	C	S	.	.	H	α-helix	trans	-59.4	-32.9	174	-69.8	0	0	0	0	113	L197 D199 P200 M206	L197-C202 HydrophobicContact CD1-CB 4.07Å; D199-C202 HydrophobicContact CB-CB 4.11Å; D199-C202 PolarHBondContact O-N 2.66Å; D199-C202 PolarHBondContact OD2-N 2.98Å; D199-C202 PolarHBondContact OD2-SG 3Å; P200-C202 PolarHBondContact O-N 3.31Å; C202-M206 VanDerWaalsContact O-CB 3.32Å; C202-M206 WeakPolarHBondContact O-CB 3.33Å; C202-M206 PolarHBondContact O-N 3.49Å; C202-M206 VanDerWaalsContact O-N 3.07Å
203	R	91.7	Very high	92.4	Very high	75 Å²	75	45.9 Å²	45.9	28%	0.283	25%	0.252	S	S	.	.	H	α-helix	trans	-66.7	-45	175.6	-70.8	-169.6	-65.2	-147.6	3.4	111.9	Q194 L197 D199 P200 H201 M206 A207	Q194-R203 HydrophobicContact CG-CB 4.35Å; Q194-R203 VanDerWaalsContact O-CD 3.25Å; Q194-R203 WeakPolarHBondContact O-CD 3.38Å; Q194-R203 VanDerWaalsContact O-CG 3.23Å; Q194-R203 WeakPolarHBondContact O-CG 3.33Å; L197-R203 HydrophobicContact CB-CG 3.6Å; L197-R203 WeakPolarHBondContact O-CD 3.43Å; L197-R203 PolarHBondContact O-NH1 3.22Å; D199-R203 WeakPolarHBondContact O-CG 3.3Å; D199-R203 PolarHBondContact O-N 2.95Å; D199-R203 VanDerWaalsContact O-N 3.15Å; P200-R203 WeakPolarHBondContact O-CB 3.42Å; P200-R203 PolarHBondContact O-N 3.09Å; H201-R203 PolarHBondContact O-N 2.92Å; R203-M206 PolarHBondContact O-N 3.28Å; R203-A207 WeakPolarHBondContact O-CB 3.37Å; R203-A207 PolarHBondContact O-N 3.2Å
204	D	89.5	Confident	92.3	Very high	105 Å²	105	53.6 Å²	53.6	56%	0.561	29%	0.286	S	S	*	.	H	α-helix	trans	-70.7	-40.5	-177.3	-62.5	-22.8	0	0	0	110.8	P200 H201 M206 A207 A208	P200-D204 VanDerWaalsContact O-CG 3.31Å; P200-D204 PolarHBondContact O-N 2.94Å; H201-D204 PolarHBondContact O-N 2.96Å; D204-M206 VanDerWaalsContact C-N 3.34Å; D204-M206 PolarHBondContact O-N 3.47Å; D204-A207 WeakPolarHBondContact O-CB 3.37Å; D204-A207 PolarHBondContact O-N 3.02Å; D204-A208 WeakPolarHBondContact O-CB 2.92Å; D204-A208 PolarHBondContact O-N 2.84Å
205	E	90.4	Very high	92.1	Very high	30 Å²	30	54.8 Å²	54.8	14%	0.14	29%	0.291	C	S	.	.	H	α-helix	trans	-60	-43.9	172	-73.2	-160	136	0	0	112	H201 A207 A208 A209 A257 S262 K268	H201-E205 IonicContact CE1-OE1 3.87Å; H201-E205 PolarHBondContact CE1-OE1 3.12Å; H201-E205 VanDerWaalsContact NE2-CD 3.28Å; H201-E205 IonicContact NE2-OE1 2.68Å; H201-E205 PolarHBondContact NE2-OE1 3.28Å; H201-E205 IonicContact NE2-OE2 2.95Å; H201-E205 WeakPolarHBondContact O-CG 3.38Å; H201-E205 PolarHBondContact O-N 3.18Å; E205-A207 VanDerWaalsContact C-N 3.33Å; E205-A207 PolarHBondContact O-N 3.29Å; E205-A208 PolarHBondContact O-N 2.9Å; E205-A209 VanDerWaalsContact O-CB 3.28Å; E205-A209 WeakPolarHBondContact O-CB 3.38Å; E205-A209 PolarHBondContact O-N 3.3Å; E205-A257 HydrophobicContact CB-CB 4.08Å; E205-S262 WeakPolarHBondContact OE2-CB 3.4Å; E205-S262 PolarHBondContact OE2-OG 3.3Å; E205-K268 IonicContact OE1-NZ 2.83Å; E205-K268 PolarHBondContact OE1-NZ 3.44Å
206	M	94.6	Very high	92.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65	-38.6	175.7	-173.1	166.7	-72.1	0	0	111.6	L149 R193 Q194 L197 C202 R203 D204 R210 I254 A257 A258	L149-M206 HydrophobicContact CD2-CE 4.28Å; R193-M206 HydrophobicContact CB-CE 4.45Å; R193-M206 HydrophobicContact CB-SD 4.05Å; R193-M206 HydrophobicContact CG-CE 3.95Å; R193-M206 HydrophobicContact CG-SD 4.11Å; Q194-M206 HydrophobicContact CB-CB 4.43Å; Q194-M206 HydrophobicContact CB-CG 4.06Å; Q194-M206 HydrophobicContact CB-SD 3.77Å; Q194-M206 HydrophobicContact CG-CB 4.35Å; Q194-M206 HydrophobicContact CG-CG 4.45Å; Q194-M206 PolarHBondContact N-SD 3.33Å; L197-M206 HydrophobicContact CD1-CE 4.07Å; L197-M206 HydrophobicContact CD1-SD 4.21Å; C202-M206 VanDerWaalsContact O-CB 3.32Å; C202-M206 WeakPolarHBondContact O-CB 3.33Å; C202-M206 PolarHBondContact O-N 3.49Å; C202-M206 VanDerWaalsContact O-N 3.07Å; R203-M206 PolarHBondContact O-N 3.28Å; D204-M206 VanDerWaalsContact C-N 3.34Å; D204-M206 PolarHBondContact O-N 3.47Å; M206-R210 HydrophobicContact CG-CG 4.49Å; M206-R210 WeakPolarHBondContact O-CB 3.35Å; M206-R210 WeakPolarHBondContact O-CG 3.35Å; M206-R210 PolarHBondContact O-N 3.42Å; M206-I254 HydrophobicContact CE-CG2 4.13Å; M206-A257 HydrophobicContact CB-CB 3.91Å; M206-A257 HydrophobicContact CE-CB 4.11Å; M206-A258 HydrophobicContact CE-CB 3.63Å
207	A	94.8	Very high	92.1	Very high	34 Å²	34	46.8 Å²	46.8	28%	0.281	26%	0.258	S	S	.	.	H	α-helix	trans	-62.6	-48.8	175.9	0	0	0	0	0	111.5	R203 D204 E205 R210 G211	R203-A207 WeakPolarHBondContact O-CB 3.37Å; R203-A207 PolarHBondContact O-N 3.2Å; D204-A207 WeakPolarHBondContact O-CB 3.37Å; D204-A207 PolarHBondContact O-N 3.02Å; E205-A207 VanDerWaalsContact C-N 3.33Å; E205-A207 PolarHBondContact O-N 3.29Å; A207-R210 PolarHBondContact O-N 3.22Å; A207-G211 PolarHBondContact O-N 3.16Å
208	A	91.9	Very high	92.1	Very high	58 Å²	58	50.5 Å²	50.5	48%	0.479	28%	0.281	S	S	.	.	H	α-helix	trans	-61.1	-45.9	178.7	0	0	0	0	0	111.4	D204 E205 R210 G211 A212	D204-A208 WeakPolarHBondContact O-CB 2.92Å; D204-A208 PolarHBondContact O-N 2.84Å; E205-A208 PolarHBondContact O-N 2.9Å; A208-R210 PolarHBondContact O-N 3.47Å; A208-G211 PolarHBondContact O-N 3.29Å; A208-A212 WeakPolarHBondContact O-CB 3.5Å; A208-A212 PolarHBondContact O-N 2.88Å
209	A	95.2	Very high	92.4	Very high	9 Å²	9	46.6 Å²	46.6	7%	0.074	26%	0.264	C	S	.	.	H	α-helix	trans	-63.9	-41	178	0	0	0	0	0	112.3	E205 A212 L213 I254	E205-A209 VanDerWaalsContact O-CB 3.28Å; E205-A209 WeakPolarHBondContact O-CB 3.38Å; E205-A209 PolarHBondContact O-N 3.3Å; A209-A212 PolarHBondContact O-N 3.19Å; A209-L213 PolarHBondContact O-N 3.33Å; A209-I254 HydrophobicContact CB-CG1 3.64Å
210	R	96.3	Very high	92.8	Very high	57 Å²	57	43.3 Å²	43.3	22%	0.215	25%	0.246	C	C	.	.	H	α-helix	trans	-62.9	-40.9	172.3	-73.2	173.4	64.9	-137.7	-9.4	112.2	N187 A190 M206 A207 A208 L213 K214 I254	N187-R210 PolarHBondContact OD1-NE 2.85Å; N187-R210 VanDerWaalsContact OD1-NE 3.11Å; N187-R210 PolarHBondContact OD1-NH2 3.18Å; A190-R210 HydrophobicContact CB-CG 4.19Å; M206-R210 HydrophobicContact CG-CG 4.49Å; M206-R210 WeakPolarHBondContact O-CB 3.35Å; M206-R210 WeakPolarHBondContact O-CG 3.35Å; M206-R210 PolarHBondContact O-N 3.42Å; A207-R210 PolarHBondContact O-N 3.22Å; A208-R210 PolarHBondContact O-N 3.47Å; R210-L213 PolarHBondContact O-N 2.96Å; R210-K214 PolarHBondContact O-N 2.98Å; R210-K214 VanDerWaalsContact O-N 3.16Å; R210-I254 HydrophobicContact CG-CD1 3.86Å; R210-I254 HydrophobicContact CG-CG1 4.37Å
211	G	94.1	Very high	93.3	Very high	40 Å²	40	43.2 Å²	43.2	41%	0.412	24%	0.238	S	C	.	.	H	α-helix	trans	-61.1	-47.6	174.6	0	0	0	0	0	112	A207 A208 L213 K214 K215	A207-G211 PolarHBondContact O-N 3.16Å; A208-G211 PolarHBondContact O-N 3.29Å; G211-L213 PolarHBondContact O-N 3.2Å; G211-K214 PolarHBondContact O-N 3.39Å; G211-K215 WeakPolarHBondContact O-CB 3.42Å; G211-K215 PolarHBondContact O-N 2.98Å
212	A	94	Very high	93.8	Very high	31 Å²	31	41.7 Å²	41.7	26%	0.256	23%	0.231	S	C	.	.	H	α-helix	trans	-59.4	-43.2	176.6	0	0	0	0	0	112	A208 A209 K214 K215 N216 A250	A208-A212 WeakPolarHBondContact O-CB 3.5Å; A208-A212 PolarHBondContact O-N 2.88Å; A209-A212 PolarHBondContact O-N 3.19Å; A212-K214 PolarHBondContact O-N 3.48Å; A212-K215 PolarHBondContact O-N 2.99Å; A212-N216 WeakPolarHBondContact O-CB 3.17Å; A212-N216 PolarHBondContact O-N 3.39Å; A212-N216 PolarHBondContact O-ND2 3.44Å; A212-A250 HydrophobicContact CB-CB 3.91Å
213	L	94.9	Very high	94.1	Very high	9 Å²	9	41.5 Å²	41.5	5%	0.047	23%	0.23	C	C	.	.	H	α-helix	trans	-57.2	-47	174.3	-83.7	-173.6	0	0	0	112.8	M183 L186 A209 R210 G211 A217 V247 A250 I251 I254	M183-L213 HydrophobicContact CE-CB 3.68Å; M183-L213 HydrophobicContact CE-CD1 3.99Å; M183-L213 HydrophobicContact CE-CD2 4.04Å; M183-L213 HydrophobicContact CE-CG 4.12Å; M183-L213 HydrophobicContact SD-CD1 4.24Å; M183-L213 HydrophobicContact SD-CD2 4.37Å; L186-L213 HydrophobicContact CD2-CD1 4.05Å; A209-L213 PolarHBondContact O-N 3.33Å; R210-L213 PolarHBondContact O-N 2.96Å; G211-L213 PolarHBondContact O-N 3.2Å; L213-A217 PolarHBondContact O-N 2.84Å; L213-V247 HydrophobicContact CD2-CG1 3.71Å; L213-A250 HydrophobicContact CD2-CB 3.73Å; L213-A250 HydrophobicContact CG-CB 3.72Å; L213-I251 HydrophobicContact CD2-CG1 4Å; L213-I254 HydrophobicContact CD1-CD1 3.47Å; L213-I254 VanDerWaalsContact CD1-CD1 3.47Å; L213-I254 HydrophobicContact CG-CD1 4.46Å
214	K	92.4	Very high	94.4	Very high	172 Å²	172	38.1 Å²	38.1	75%	0.748	22%	0.218	S	C	*	.	H	α-helix	trans	-64.4	-44.5	178.7	-175.2	-179.2	177.4	-173.6	0	111.5	R210 G211 A212	R210-K214 PolarHBondContact O-N 2.98Å; R210-K214 VanDerWaalsContact O-N 3.16Å; G211-K214 PolarHBondContact O-N 3.39Å; A212-K214 PolarHBondContact O-N 3.48Å
215	K	91	Very high	94.8	Very high	61 Å²	61	34.4 Å²	34.4	27%	0.265	20%	0.197	S	C	.	.	H	α-helix	trans	-58.8	-47.5	177.4	167.5	168.9	154.9	169.5	0	111.7	G211 A212 A217 M219 Q488	G211-K215 WeakPolarHBondContact O-CB 3.42Å; G211-K215 PolarHBondContact O-N 2.98Å; A212-K215 PolarHBondContact O-N 2.99Å; K215-A217 PolarHBondContact O-N 3.02Å; K215-M219 HydrophobicContact CG-CE 4.31Å; K215-Q488 VanDerWaalsContact CG-OE1 3.25Å
216	N	95	Very high	95.2	Very high	4 Å²	4	33 Å²	33	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-78.2	-17.9	-174.1	-63.9	-32.6	0	0	0	114	A212 T218 M219 L220 V243 Q246 V247	A212-N216 WeakPolarHBondContact O-CB 3.17Å; A212-N216 PolarHBondContact O-N 3.39Å; A212-N216 PolarHBondContact O-ND2 3.44Å; N216-T218 PolarHBondContact O-N 3.32Å; N216-M219 HydrophobicContact CB-CE 4.24Å; N216-M219 PolarHBondContact O-N 3.46Å; N216-M219 WeakPolarHBondContact OD1-CE 3.4Å; N216-L220 VanDerWaalsContact O-CB 3.31Å; N216-L220 WeakPolarHBondContact O-CB 3.36Å; N216-L220 PolarHBondContact O-N 3.06Å; N216-V243 HydrophobicContact CB-CG1 4.16Å; N216-V243 WeakPolarHBondContact O-CG1 3.37Å; N216-Q246 VanDerWaalsContact ND2-CB 3.29Å; N216-Q246 WeakPolarHBondContact ND2-CB 3.46Å; N216-V247 HydrophobicContact CB-CG2 3.6Å
217	A	92.6	Very high	95.3	Very high	23 Å²	23	34.3 Å²	34.3	19%	0.19	20%	0.196	C	C	.	.	H	α-helix	trans	-59.3	-44.3	-177.2	0	0	0	0	0	113.1	F176 L213 K215 L220 Y221	F176-A217 WeakPolarHBondContact CE2-O 3.29Å; F176-A217 VanDerWaalsContact CZ-O 3.24Å; F176-A217 WeakPolarHBondContact CZ-O 3.44Å; L213-A217 PolarHBondContact O-N 2.84Å; K215-A217 PolarHBondContact O-N 3.02Å; A217-L220 WeakPolarHBondContact O-CB 3.28Å; A217-L220 PolarHBondContact O-N 3.15Å; A217-Y221 PolarHBondContact O-N 3.09Å
218	T	92.3	Very high	95.4	Very high	83 Å²	83	34.6 Å²	34.6	51%	0.509	19%	0.193	S	C	.	.	H	α-helix	trans	-68.8	-45.5	179.5	-52.8	0	0	0	0	111.5	N216 L220 Y221 T222 V484	N216-T218 PolarHBondContact O-N 3.32Å; T218-L220 PolarHBondContact O-N 3.21Å; T218-Y221 PolarHBondContact O-N 3.44Å; T218-T222 PolarHBondContact O-N 3.06Å; T218-T222 PolarHBondContact O-OG1 3.44Å; T218-V484 HydrophobicContact CG2-CG1 4.05Å; T218-V484 HydrophobicContact CG2-CG2 3.91Å
219	M	96.9	Very high	95.7	Very high	3 Å²	3	39 Å²	39	2%	0.015	20%	0.197	C	C	.	.	H	α-helix	trans	-58.7	-36.2	175.2	-71.5	-172.9	-61.4	0	0	111.9	K215 N216 Y221 T222 A223 V243 V484 F485 Q488	K215-M219 HydrophobicContact CG-CE 4.31Å; N216-M219 HydrophobicContact CB-CE 4.24Å; N216-M219 PolarHBondContact O-N 3.46Å; N216-M219 WeakPolarHBondContact OD1-CE 3.4Å; M219-Y221 VanDerWaalsContact C-N 3.31Å; M219-Y221 PolarHBondContact O-N 3.5Å; M219-T222 PolarHBondContact O-OG1 3.09Å; M219-A223 WeakPolarHBondContact O-CB 3.39Å; M219-A223 PolarHBondContact O-N 2.87Å; M219-V243 HydrophobicContact CB-CG1 3.9Å; M219-V243 HydrophobicContact CB-CG2 3.76Å; M219-V484 HydrophobicContact CB-CG1 4.34Å; M219-V484 HydrophobicContact CG-CG1 3.52Å; M219-F485 HydrophobicContact SD-CD1 4.12Å; M219-F485 HydrophobicContact SD-CE1 3.8Å; M219-F485 HydrophobicContact SD-CZ 4.37Å; M219-Q488 HydrophobicContact CE-CG 4.32Å; M219-Q488 HydrophobicContact SD-CB 4.15Å; M219-Q488 HydrophobicContact SD-CG 3.81Å
220	L	97.4	Very high	95.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.8	-43.8	-178.7	-179.9	65.7	0	0	0	110.4	L160 V163 F176 F179 N216 A217 T218 S224 V243 F244 V247	L160-L220 HydrophobicContact CD1-CD1 4.31Å; L160-L220 HydrophobicContact CD1-CD2 3.5Å; V163-L220 HydrophobicContact CG1-CD2 4.32Å; V163-L220 HydrophobicContact CG1-CG 4.39Å; F176-L220 HydrophobicContact CE2-CB 4.4Å; F176-L220 HydrophobicContact CE2-CD2 4.17Å; F176-L220 HydrophobicContact CE2-CG 4.4Å; F179-L220 HydrophobicContact CD1-CD2 4.43Å; F179-L220 HydrophobicContact CE1-CD2 3.9Å; F179-L220 HydrophobicContact CZ-CD2 4.13Å; N216-L220 VanDerWaalsContact O-CB 3.31Å; N216-L220 WeakPolarHBondContact O-CB 3.36Å; N216-L220 PolarHBondContact O-N 3.06Å; A217-L220 WeakPolarHBondContact O-CB 3.28Å; A217-L220 PolarHBondContact O-N 3.15Å; T218-L220 PolarHBondContact O-N 3.21Å; L220-S224 WeakPolarHBondContact O-CB 3.48Å; L220-S224 PolarHBondContact O-N 3Å; L220-S224 VanDerWaalsContact O-N 3.09Å; L220-S224 PolarHBondContact O-OG 3.01Å; L220-V243 HydrophobicContact CB-CG1 3.79Å; L220-V243 HydrophobicContact CD1-CG1 4.16Å; L220-F244 HydrophobicContact CD1-CD1 3.85Å; L220-F244 HydrophobicContact CD1-CD2 3.89Å; L220-F244 HydrophobicContact CD1-CE1 3.62Å; L220-F244 HydrophobicContact CD1-CE2 3.66Å; L220-F244 HydrophobicContact CD1-CG 3.94Å; L220-F244 HydrophobicContact CD1-CZ 3.5Å; L220-F244 VanDerWaalsContact CD1-CZ 3.5Å; L220-F244 HydrophobicContact CG-CZ 4.46Å; L220-V247 HydrophobicContact CD2-CG2 4.45Å
221	Y	97	Very high	95.7	Very high	66 Å²	66	40.1 Å²	40.1	26%	0.259	21%	0.21	S	C	.	.	H	α-helix	trans	-66.6	-53.6	179.4	-174.8	-102.1	0	0	0	111.6	L172 F176 A217 T218 M219 A223 S224 Q225	L172-Y221 HydrophobicContact CD2-CD2 4.41Å; L172-Y221 HydrophobicContact CD2-CE2 4.26Å; L172-Y221 HydrophobicContact CG-CD2 4.34Å; L172-Y221 HydrophobicContact CG-CE2 4.13Å; F176-Y221 HydrophobicContact CB-CD2 3.9Å; F176-Y221 HydrophobicContact CB-CE2 4.24Å; F176-Y221 AromaticContact CD1-CD2 3.6Å; F176-Y221 HydrophobicContact CD1-CD2 3.6Å; F176-Y221 HydrophobicContact CD1-CE2 4.26Å; F176-Y221 HydrophobicContact CD1-CG 4.21Å; F176-Y221 AromaticContact CD2-CD2 3.95Å; F176-Y221 HydrophobicContact CD2-CD2 3.95Å; F176-Y221 HydrophobicContact CE1-CD2 4.09Å; F176-Y221 HydrophobicContact CE1-CG 4.24Å; F176-Y221 HydrophobicContact CE2-CD2 4.4Å; F176-Y221 AromaticContact CG-CD2 3.53Å; F176-Y221 HydrophobicContact CG-CD2 3.53Å; F176-Y221 HydrophobicContact CG-CE2 4.27Å; F176-Y221 HydrophobicContact CG-CG 4.37Å; F176-Y221 HydrophobicContact CZ-CD2 4.47Å; F176-Y221 HydrophobicContact CZ-CG 4.43Å; A217-Y221 PolarHBondContact O-N 3.09Å; T218-Y221 PolarHBondContact O-N 3.44Å; M219-Y221 VanDerWaalsContact C-N 3.31Å; M219-Y221 PolarHBondContact O-N 3.5Å; Y221-A223 PolarHBondContact O-N 2.93Å; Y221-S224 PolarHBondContact O-N 3.31Å; Y221-Q225 VanDerWaalsContact CE1-OE1 3.24Å; Y221-Q225 WeakPolarHBondContact O-CB 3.28Å; Y221-Q225 PolarHBondContact O-N 3.31Å
222	T	97.2	Very high	95.8	Very high	11 Å²	11	43.3 Å²	43.3	7%	0.067	22%	0.217	C	C	.	.	H	α-helix	trans	-66	-40.3	-175.9	58.1	0	0	0	0	112.4	T218 M219 Q225 A226 N481 V484	T218-T222 PolarHBondContact O-N 3.06Å; T218-T222 PolarHBondContact O-OG1 3.44Å; M219-T222 PolarHBondContact O-OG1 3.09Å; T222-Q225 PolarHBondContact O-N 3.42Å; T222-A226 WeakPolarHBondContact O-CB 3.39Å; T222-A226 PolarHBondContact O-N 2.85Å; T222-N481 PolarHBondContact OG1-OD1 3.46Å; T222-V484 HydrophobicContact CG2-CG2 3.86Å
223	A	97.8	Very high	95.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-68	-38.6	177.6	0	0	0	0	0	111.7	M219 Y221 F227 N239 R240 V243 N481 F485	M219-A223 WeakPolarHBondContact O-CB 3.39Å; M219-A223 PolarHBondContact O-N 2.87Å; Y221-A223 PolarHBondContact O-N 2.93Å; A223-F227 WeakPolarHBondContact O-CB 3.41Å; A223-F227 PolarHBondContact O-N 3.38Å; A223-N239 HydrophobicContact CB-CB 4.1Å; A223-R240 HydrophobicContact CB-CB 4.32Å; A223-V243 HydrophobicContact CB-CG2 4.46Å; A223-N481 VanDerWaalsContact CA-OD1 3.32Å; A223-N481 WeakPolarHBondContact CA-OD1 3.32Å; A223-N481 PolarHBondContact N-OD1 2.96Å; A223-F485 HydrophobicContact CB-CE2 4.41Å
224	S	98.1	Very high	95.9	Very high	4 Å²	4	46.1 Å²	46.1	3%	0.028	24%	0.24	C	C	.	.	H	α-helix	trans	-66.7	-41.1	174.6	-61.1	0	0	0	0	111.8	L220 Y221 F227 L228	L220-S224 WeakPolarHBondContact O-CB 3.48Å; L220-S224 PolarHBondContact O-N 3Å; L220-S224 VanDerWaalsContact O-N 3.09Å; L220-S224 PolarHBondContact O-OG 3.01Å; Y221-S224 PolarHBondContact O-N 3.31Å; S224-F227 PolarHBondContact O-N 3.38Å; S224-L228 WeakPolarHBondContact O-CG 3.42Å; S224-L228 PolarHBondContact O-N 2.98Å
225	Q	97.6	Very high	96.2	Very high	28 Å²	28	38.5 Å²	38.5	13%	0.131	21%	0.209	C	C	.	.	H	α-helix	trans	-65.5	-43.1	177.3	-162.5	-177.3	-9.3	0	0	111	E169 L172 Y221 T222 F227 L228 R229 V477	E169-Q225 HydrophobicContact CG-CG 4.26Å; L172-Q225 HydrophobicContact CD2-CB 3.88Å; L172-Q225 HydrophobicContact CD2-CG 4.43Å; Y221-Q225 VanDerWaalsContact CE1-OE1 3.24Å; Y221-Q225 WeakPolarHBondContact O-CB 3.28Å; Y221-Q225 PolarHBondContact O-N 3.31Å; T222-Q225 PolarHBondContact O-N 3.42Å; Q225-F227 VanDerWaalsContact C-N 3.34Å; Q225-F227 PolarHBondContact O-N 3.49Å; Q225-L228 PolarHBondContact O-N 2.98Å; Q225-R229 WeakPolarHBondContact O-CB 3.38Å; Q225-R229 PolarHBondContact O-N 2.72Å; Q225-V477 VanDerWaalsContact C-CG1 3.48Å; Q225-V477 HydrophobicContact CB-CG1 3.74Å; Q225-V477 HydrophobicContact CG-CG1 3.57Å; Q225-V477 HydrophobicContact CG-CG2 4.12Å
226	A	97.5	Very high	96.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.2	-43.2	176.2	0	0	0	0	0	111.8	T222 R229 H230 T236 V477 N481	T222-A226 WeakPolarHBondContact O-CB 3.39Å; T222-A226 PolarHBondContact O-N 2.85Å; A226-R229 PolarHBondContact O-N 3.1Å; A226-H230 PolarHBondContact O-N 3.26Å; A226-T236 HydrophobicContact CB-CG2 4.23Å; A226-V477 HydrophobicContact CB-CG1 4.11Å; A226-V477 VanDerWaalsContact N-CG1 3.34Å; A226-N481 HydrophobicContact CB-CB 4.2Å
227	F	97.8	Very high	96.6	Very high	27 Å²	27	41.7 Å²	41.7	12%	0.118	22%	0.219	C	C	.	.	H	α-helix	trans	-64.6	-41.9	175.8	175.8	-96.6	0	0	0	113.3	A223 S224 Q225 R229 H230 P231 T236 R237 R240	A223-F227 WeakPolarHBondContact O-CB 3.41Å; A223-F227 PolarHBondContact O-N 3.38Å; S224-F227 PolarHBondContact O-N 3.38Å; Q225-F227 VanDerWaalsContact C-N 3.34Å; Q225-F227 PolarHBondContact O-N 3.49Å; F227-R229 VanDerWaalsContact C-N 3.32Å; F227-R229 PolarHBondContact O-N 2.88Å; F227-H230 CarbonylContact O-C 3.49Å; F227-P231 VanDerWaalsContact O-CA 3.28Å; F227-P231 WeakPolarHBondContact O-CA 3.24Å; F227-P231 VanDerWaalsContact O-N 3.14Å; F227-T236 WeakPolarHBondContact CD2-OG1 3.33Å; F227-R237 HydrophobicContact CD2-CB 3.81Å; F227-R237 HydrophobicContact CD2-CG 4.43Å; F227-R237 HydrophobicContact CE2-CB 3.75Å; F227-R237 HydrophobicContact CE2-CG 4.07Å; F227-R240 HydrophobicContact CB-CB 4.31Å
228	L	97.3	Very high	96.8	Very high	40 Å²	40	42.3 Å²	42.3	21%	0.209	22%	0.224	C	C	.	.	H	α-helix	trans	-66	-36.2	178	-74.1	174.2	0	0	0	112.4	A166 L172 S224 Q225	A166-L228 HydrophobicContact CB-CD1 4.36Å; A166-L228 WeakPolarHBondContact O-CD2 3.31Å; L172-L228 HydrophobicContact CB-CD1 3.74Å; L172-L228 HydrophobicContact CD2-CD1 3.81Å; L172-L228 HydrophobicContact CG-CD1 4.28Å; S224-L228 WeakPolarHBondContact O-CG 3.42Å; S224-L228 PolarHBondContact O-N 2.98Å; Q225-L228 PolarHBondContact O-N 2.98Å
229	R	96.9	Very high	97.1	Very high	150 Å²	150	38.4 Å²	38.4	57%	0.566	20%	0.2	S	C	*	.	H	α-helix	trans	-77.8	-37.2	-179.4	-172.3	61.1	169.6	-169.2	2.6	112.7	E169 Q225 A226 F227 P231	E169-R229 WeakPolarHBondContact OE1-CD 3.44Å; E169-R229 IonicContact OE1-NH1 3.48Å; Q225-R229 WeakPolarHBondContact O-CB 3.38Å; Q225-R229 PolarHBondContact O-N 2.72Å; A226-R229 PolarHBondContact O-N 3.1Å; F227-R229 VanDerWaalsContact C-N 3.32Å; F227-R229 PolarHBondContact O-N 2.88Å; R229-P231 VanDerWaalsContact C-CD 3.45Å
230	H	97.1	Very high	97.1	Very high	18 Å²	18	39.8 Å²	39.8	8%	0.083	21%	0.205	C	C	.	.			trans	-130.1	61.7	-175	-53.7	-66.6	0	0	0	112	A226 F227 D232 V233 T236 R472 S475	A226-H230 PolarHBondContact O-N 3.26Å; F227-H230 CarbonylContact O-C 3.49Å; H230-D232 PolarHBondContact O-N 3.34Å; H230-V233 HydrophobicContact CB-CB 4.38Å; H230-V233 HydrophobicContact CB-CG2 4.05Å; H230-V233 PolarHBondContact O-N 3.36Å; H230-V233 VanDerWaalsContact O-N 3.11Å; H230-T236 HydrophobicContact CB-CG2 4.31Å; H230-T236 PolarHBondContact O-OG1 2.81Å; H230-R472 HydrophobicContact CB-CG 4.45Å; H230-R472 WeakPolarHBondContact ND1-CD 3.5Å; H230-R472 WeakPolarHBondContact ND1-CG 3.4Å; H230-S475 VanDerWaalsContact NE2-CB 3.33Å; H230-S475 WeakPolarHBondContact NE2-CB 3.29Å; H230-S475 PolarHBondContact NE2-OG 3.17Å
231	P	95.3	Very high	97.1	Very high	73 Å²	73	42.9 Å²	42.9	47%	0.474	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-16.2	-175.7	28.7	-36.7	0	0	0	113.7	F227 R229 V233	F227-P231 VanDerWaalsContact O-CA 3.28Å; F227-P231 WeakPolarHBondContact O-CA 3.24Å; F227-P231 VanDerWaalsContact O-N 3.14Å; R229-P231 VanDerWaalsContact C-CD 3.45Å; P231-V233 VanDerWaalsContact C-N 3.34Å
232	D	96.1	Very high	97.1	Very high	106 Å²	106	41.4 Å²	41.4	57%	0.567	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-20.3	175.5	60.3	-55	0	0	0	113	H230 A234 R472	H230-D232 PolarHBondContact O-N 3.34Å; D232-A234 PolarHBondContact O-N 2.94Å; D232-R472 IonicContact OD2-CZ 2.72Å; D232-R472 IonicContact OD2-NH2 3.39Å; D232-R472 PolarHBondContact OD2-NH2 3.48Å
233	V	96.2	Very high	97.1	Very high	18 Å²	18	40.9 Å²	40.9	11%	0.109	21%	0.213	C	C	.	.			trans	-88.7	104.9	177.6	-178.8	0	0	0	0	109.4	H230 P231 A235 T236 A471 R472	H230-V233 HydrophobicContact CB-CB 4.38Å; H230-V233 HydrophobicContact CB-CG2 4.05Å; H230-V233 PolarHBondContact O-N 3.36Å; H230-V233 VanDerWaalsContact O-N 3.11Å; P231-V233 VanDerWaalsContact C-N 3.34Å; V233-A235 HydrophobicContact CG1-CB 4.19Å; V233-A235 PolarHBondContact O-N 2.87Å; V233-A235 VanDerWaalsContact O-N 3.07Å; V233-T236 HydrophobicContact CB-CG2 4.08Å; V233-T236 HydrophobicContact CG1-CG2 4.25Å; V233-T236 PolarHBondContact O-N 3.43Å; V233-T236 PolarHBondContact O-OG1 2.67Å; V233-A471 HydrophobicContact CG1-CB 4.4Å; V233-A471 HydrophobicContact CG2-CB 4.06Å; V233-R472 HydrophobicContact CG2-CG 4.4Å
234	A	95.3	Very high	97.1	Very high	82 Å²	82	41 Å²	41	68%	0.678	21%	0.213	S	C	*	.	H	α-helix	trans	-54	-32.9	-175.8	0	0	0	0	0	114.3	D232 T236 R237 A238	D232-A234 PolarHBondContact O-N 2.94Å; A234-T236 VanDerWaalsContact C-N 3.28Å; A234-T236 PolarHBondContact O-N 3.25Å; A234-R237 WeakPolarHBondContact O-CB 3.4Å; A234-R237 PolarHBondContact O-N 3.46Å; A234-A238 PolarHBondContact O-N 3.28Å
235	A	96.9	Very high	97	Very high	11 Å²	11	46.3 Å²	46.3	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-61.9	-32	179.6	0	0	0	0	0	113.5	V233 R237 A238 N239 N464 L467	V233-A235 HydrophobicContact CG1-CB 4.19Å; V233-A235 PolarHBondContact O-N 2.87Å; V233-A235 VanDerWaalsContact O-N 3.07Å; A235-R237 VanDerWaalsContact C-N 3.33Å; A235-R237 PolarHBondContact O-N 3.16Å; A235-A238 PolarHBondContact O-N 2.93Å; A235-N239 PolarHBondContact O-N 2.95Å; A235-N464 HydrophobicContact CB-CB 3.95Å; A235-N464 WeakPolarHBondContact CB-O 3.23Å; A235-L467 HydrophobicContact CB-CB 4.18Å
236	T	97.7	Very high	97	Very high	1 Å²	1	47 Å²	47	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-63.8	-39.7	177.1	61.8	0	0	0	0	111.9	A226 F227 H230 V233 A234 R240 T468	A226-T236 HydrophobicContact CB-CG2 4.23Å; F227-T236 WeakPolarHBondContact CD2-OG1 3.33Å; H230-T236 HydrophobicContact CB-CG2 4.31Å; H230-T236 PolarHBondContact O-OG1 2.81Å; V233-T236 HydrophobicContact CB-CG2 4.08Å; V233-T236 HydrophobicContact CG1-CG2 4.25Å; V233-T236 PolarHBondContact O-N 3.43Å; V233-T236 PolarHBondContact O-OG1 2.67Å; A234-T236 VanDerWaalsContact C-N 3.28Å; A234-T236 PolarHBondContact O-N 3.25Å; T236-R240 WeakPolarHBondContact O-CB 3.5Å; T236-R240 PolarHBondContact O-N 3.3Å; T236-T468 HydrophobicContact CG2-CG2 3.42Å; T236-T468 VanDerWaalsContact CG2-CG2 3.42Å
237	R	97.1	Very high	96.9	Very high	131 Å²	131	47.1 Å²	47.1	49%	0.494	24%	0.24	S	C	.	.	H	α-helix	trans	-64.1	-44.6	176.7	-174.3	179	-65.3	173.4	3.2	110.6	F227 A234 A235 R240 D241	F227-R237 HydrophobicContact CD2-CB 3.81Å; F227-R237 HydrophobicContact CD2-CG 4.43Å; F227-R237 HydrophobicContact CE2-CB 3.75Å; F227-R237 HydrophobicContact CE2-CG 4.07Å; A234-R237 WeakPolarHBondContact O-CB 3.4Å; A234-R237 PolarHBondContact O-N 3.46Å; A235-R237 VanDerWaalsContact C-N 3.33Å; A235-R237 PolarHBondContact O-N 3.16Å; R237-R240 PolarHBondContact O-N 3.26Å; R237-D241 WeakPolarHBondContact CG-OD2 2.99Å; R237-D241 VanDerWaalsContact O-CB 3.31Å; R237-D241 WeakPolarHBondContact O-CB 3.45Å; R237-D241 PolarHBondContact O-N 3Å
238	A	97.3	Very high	96.9	Very high	37 Å²	37	50 Å²	50	31%	0.306	25%	0.254	S	S	.	.	H	α-helix	trans	-60.7	-46.2	179.4	0	0	0	0	0	112.1	A234 A235 Y242 N464	A234-A238 PolarHBondContact O-N 3.28Å; A235-A238 PolarHBondContact O-N 2.93Å; A238-Y242 WeakPolarHBondContact O-CB 3.3Å; A238-Y242 PolarHBondContact O-N 3.1Å; A238-N464 VanDerWaalsContact CB-ND2 3.35Å; A238-N464 WeakPolarHBondContact CB-ND2 3.16Å
239	N	97.5	Very high	96.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.9	-50.7	173.9	-77.7	159.6	0	0	0	111.9	A223 A235 D241 Y242 V243 Q461 N464 A465 N481 F485	A223-N239 HydrophobicContact CB-CB 4.1Å; A235-N239 PolarHBondContact O-N 2.95Å; N239-D241 PolarHBondContact O-N 3.39Å; N239-Y242 PolarHBondContact O-N 3.26Å; N239-V243 WeakPolarHBondContact O-CG2 3.36Å; N239-V243 PolarHBondContact O-N 3.46Å; N239-Q461 VanDerWaalsContact ND2-CA 3.35Å; N239-Q461 WeakPolarHBondContact ND2-CA 3.26Å; N239-Q461 PolarHBondContact ND2-O 3.37Å; N239-Q461 PolarHBondContact ND2-OE1 3.02Å; N239-Q461 VanDerWaalsContact ND2-OE1 3.15Å; N239-N464 VanDerWaalsContact ND2-CB 3.28Å; N239-N464 WeakPolarHBondContact ND2-CB 3.47Å; N239-A465 WeakPolarHBondContact OD1-CA 3.19Å; N239-A465 PolarHBondContact OD1-N 2.7Å; N239-N481 PolarHBondContact OD1-ND2 3.17Å; N239-F485 HydrophobicContact CB-CE2 3.99Å; N239-F485 HydrophobicContact CB-CZ 4Å
240	R	97.3	Very high	96.7	Very high	33 Å²	33	45.4 Å²	45.4	13%	0.125	24%	0.238	C	C	.	.	H	α-helix	trans	-58.8	-51.8	-178	-173.6	-162.4	66.7	171.4	-4.2	110.9	A223 F227 T236 R237 Y242 V243 F244	A223-R240 HydrophobicContact CB-CB 4.32Å; F227-R240 HydrophobicContact CB-CB 4.31Å; T236-R240 WeakPolarHBondContact O-CB 3.5Å; T236-R240 PolarHBondContact O-N 3.3Å; R237-R240 PolarHBondContact O-N 3.26Å; R240-Y242 VanDerWaalsContact C-N 3.34Å; R240-Y242 PolarHBondContact O-N 3.27Å; R240-V243 PolarHBondContact O-N 3.11Å; R240-F244 HydrophobicContact CG-CD2 3.74Å; R240-F244 HydrophobicContact CG-CE2 3.54Å; R240-F244 WeakPolarHBondContact O-CD2 3.29Å; R240-F244 PolarHBondContact O-N 2.9Å
241	D	97.1	Very high	96.6	Very high	65 Å²	65	44.5 Å²	44.5	35%	0.348	23%	0.234	S	C	.	.	H	α-helix	trans	-66.4	-36.2	-175.5	-66.2	-4.8	0	0	0	111.6	R237 N239 K245	R237-D241 WeakPolarHBondContact CG-OD2 2.99Å; R237-D241 VanDerWaalsContact O-CB 3.31Å; R237-D241 WeakPolarHBondContact O-CB 3.45Å; R237-D241 PolarHBondContact O-N 3Å; N239-D241 PolarHBondContact O-N 3.39Å; D241-K245 PolarHBondContact O-N 2.87Å
242	Y	97.6	Very high	96.5	Very high	34 Å²	34	43 Å²	43	13%	0.133	23%	0.228	C	C	.	.	H	α-helix	trans	-57.8	-52.8	170.1	168.5	-94.4	0	0	0	111.4	A238 N239 R240 F244 K245 Q246 S457 Q461	A238-Y242 WeakPolarHBondContact O-CB 3.3Å; A238-Y242 PolarHBondContact O-N 3.1Å; N239-Y242 PolarHBondContact O-N 3.26Å; R240-Y242 VanDerWaalsContact C-N 3.34Å; R240-Y242 PolarHBondContact O-N 3.27Å; Y242-F244 VanDerWaalsContact C-N 3.32Å; Y242-F244 PolarHBondContact O-N 3.42Å; Y242-K245 WeakPolarHBondContact O-CB 3.35Å; Y242-K245 PolarHBondContact O-N 3.42Å; Y242-K245 VanDerWaalsContact O-N 3.1Å; Y242-Q246 HydrophobicContact CD1-CG 4.16Å; Y242-Q246 HydrophobicContact CD2-CG 4.36Å; Y242-Q246 HydrophobicContact CE1-CG 3.71Å; Y242-Q246 HydrophobicContact CE2-CG 3.94Å; Y242-Q246 HydrophobicContact CG-CG 4.47Å; Y242-Q246 WeakPolarHBondContact O-CG 3.48Å; Y242-Q246 PolarHBondContact O-N 2.86Å; Y242-S457 PolarHBondContact OH-OG 2.9Å; Y242-Q461 HydrophobicContact CD1-CG 3.61Å; Y242-Q461 HydrophobicContact CD2-CG 3.96Å; Y242-Q461 HydrophobicContact CE1-CG 3.84Å; Y242-Q461 HydrophobicContact CE2-CG 4.15Å; Y242-Q461 HydrophobicContact CG-CG 3.67Å
243	V	97.5	Very high	96.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.8	-38.9	-176.6	-176.7	0	0	0	0	111.2	N216 M219 L220 A223 N239 R240 K245 Q246 V247 F485	N216-V243 HydrophobicContact CB-CG1 4.16Å; N216-V243 WeakPolarHBondContact O-CG1 3.37Å; M219-V243 HydrophobicContact CB-CG1 3.9Å; M219-V243 HydrophobicContact CB-CG2 3.76Å; L220-V243 HydrophobicContact CB-CG1 3.79Å; L220-V243 HydrophobicContact CD1-CG1 4.16Å; A223-V243 HydrophobicContact CB-CG2 4.46Å; N239-V243 WeakPolarHBondContact O-CG2 3.36Å; N239-V243 PolarHBondContact O-N 3.46Å; R240-V243 PolarHBondContact O-N 3.11Å; V243-K245 VanDerWaalsContact C-N 3.32Å; V243-K245 PolarHBondContact O-N 2.98Å; V243-Q246 PolarHBondContact O-N 2.68Å; V243-V247 HydrophobicContact CG1-CG2 4.41Å; V243-V247 WeakPolarHBondContact O-CG2 3.48Å; V243-V247 PolarHBondContact O-N 3.4Å; V243-F485 HydrophobicContact CG2-CZ 3.95Å
244	F	97.2	Very high	96.4	Very high	3 Å²	3	38 Å²	38	1%	0.013	21%	0.205	C	C	.	.	H	α-helix	trans	-55.9	-47.4	172.1	-89.5	-71.6	0	0	0	111.9	L160 V163 K164 L220 R240 Y242 Q246 V247 Q248	L160-F244 HydrophobicContact CD1-CD1 3.63Å; L160-F244 HydrophobicContact CD1-CE1 3.5Å; L160-F244 HydrophobicContact CD2-CD1 4.45Å; L160-F244 HydrophobicContact CG-CD1 3.88Å; L160-F244 HydrophobicContact CG-CE1 3.94Å; L160-F244 WeakPolarHBondContact O-CE1 3.44Å; V163-F244 HydrophobicContact CB-CZ 4.41Å; V163-F244 HydrophobicContact CG1-CE1 4.5Å; V163-F244 HydrophobicContact CG1-CZ 4.03Å; K164-F244 HydrophobicContact CB-CD1 4.03Å; K164-F244 HydrophobicContact CB-CE1 3.4Å; K164-F244 VanDerWaalsContact CB-CE1 3.4Å; K164-F244 HydrophobicContact CB-CE2 3.99Å; K164-F244 HydrophobicContact CB-CZ 3.41Å; K164-F244 VanDerWaalsContact CB-CZ 3.41Å; K164-F244 HydrophobicContact CD-CD1 4.23Å; K164-F244 HydrophobicContact CD-CE1 4.42Å; K164-F244 HydrophobicContact CD-CG 4.33Å; K164-F244 HydrophobicContact CG-CD1 4.21Å; K164-F244 HydrophobicContact CG-CD2 4.11Å; K164-F244 HydrophobicContact CG-CE1 3.98Å; K164-F244 HydrophobicContact CG-CE2 3.89Å; K164-F244 HydrophobicContact CG-CG 4.3Å; K164-F244 HydrophobicContact CG-CZ 3.85Å; K164-F244 VanDerWaalsContact N-CZ 3.31Å; L220-F244 HydrophobicContact CD1-CD1 3.85Å; L220-F244 HydrophobicContact CD1-CD2 3.89Å; L220-F244 HydrophobicContact CD1-CE1 3.62Å; L220-F244 HydrophobicContact CD1-CE2 3.66Å; L220-F244 HydrophobicContact CD1-CG 3.94Å; L220-F244 HydrophobicContact CD1-CZ 3.5Å; L220-F244 VanDerWaalsContact CD1-CZ 3.5Å; L220-F244 HydrophobicContact CG-CZ 4.46Å; R240-F244 HydrophobicContact CG-CD2 3.74Å; R240-F244 HydrophobicContact CG-CE2 3.54Å; R240-F244 WeakPolarHBondContact O-CD2 3.29Å; R240-F244 PolarHBondContact O-N 2.9Å; Y242-F244 VanDerWaalsContact C-N 3.32Å; Y242-F244 PolarHBondContact O-N 3.42Å; F244-Q246 PolarHBondContact O-N 3.22Å; F244-V247 PolarHBondContact O-N 3.34Å; F244-Q248 WeakPolarHBondContact O-CG 3.23Å; F244-Q248 PolarHBondContact O-N 3.47Å
245	K	96.7	Very high	96.4	Very high	115 Å²	115	35.5 Å²	35.5	50%	0.5	18%	0.183	S	C	.	.	H	α-helix	trans	-60.4	-44.8	177.9	-167.5	-173.4	-177.4	-112.2	0	111.5	D241 Y242 V243 V247 Q248 E249	D241-K245 PolarHBondContact O-N 2.87Å; Y242-K245 WeakPolarHBondContact O-CB 3.35Å; Y242-K245 PolarHBondContact O-N 3.42Å; Y242-K245 VanDerWaalsContact O-N 3.1Å; V243-K245 VanDerWaalsContact C-N 3.32Å; V243-K245 PolarHBondContact O-N 2.98Å; K245-V247 VanDerWaalsContact C-N 3.31Å; K245-V247 PolarHBondContact O-N 2.95Å; K245-Q248 PolarHBondContact O-N 2.9Å; K245-E249 WeakPolarHBondContact CE-OE1 3.26Å; K245-E249 IonicContact NZ-OE1 3.18Å; K245-E249 PolarHBondContact NZ-OE1 3.19Å; K245-E249 WeakPolarHBondContact O-CG 3.48Å; K245-E249 PolarHBondContact O-N 3.45Å
246	Q	96.5	Very high	96.1	Very high	44 Å²	44	37.1 Å²	37.1	21%	0.206	19%	0.19	C	C	.	.	H	α-helix	trans	-62.5	-36.9	178	-64.3	-57	109.5	0	0	112.6	N216 Y242 V243 F244 E249 A250	N216-Q246 VanDerWaalsContact ND2-CB 3.29Å; N216-Q246 WeakPolarHBondContact ND2-CB 3.46Å; Y242-Q246 HydrophobicContact CD1-CG 4.16Å; Y242-Q246 HydrophobicContact CD2-CG 4.36Å; Y242-Q246 HydrophobicContact CE1-CG 3.71Å; Y242-Q246 HydrophobicContact CE2-CG 3.94Å; Y242-Q246 HydrophobicContact CG-CG 4.47Å; Y242-Q246 WeakPolarHBondContact O-CG 3.48Å; Y242-Q246 PolarHBondContact O-N 2.86Å; V243-Q246 PolarHBondContact O-N 2.68Å; F244-Q246 PolarHBondContact O-N 3.22Å; Q246-E249 PolarHBondContact OE1-OE2 3.33Å; Q246-A250 WeakPolarHBondContact O-CB 3.45Å; Q246-A250 PolarHBondContact O-N 3.49Å; Q246-A250 VanDerWaalsContact O-N 3.09Å
247	V	96.9	Very high	95.9	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-67.8	-43.4	174.5	179.2	0	0	0	0	110.5	L160 F179 L213 N216 L220 V243 F244 K245 E249 A250 I251	L160-V247 HydrophobicContact CD1-CB 4.27Å; L160-V247 HydrophobicContact CD1-CG1 3.84Å; L160-V247 HydrophobicContact CD2-CB 4.03Å; L160-V247 HydrophobicContact CD2-CG1 3.58Å; L160-V247 HydrophobicContact CG-CG1 4.33Å; F179-V247 HydrophobicContact CZ-CG1 4.24Å; L213-V247 HydrophobicContact CD2-CG1 3.71Å; N216-V247 HydrophobicContact CB-CG2 3.6Å; L220-V247 HydrophobicContact CD2-CG2 4.45Å; V243-V247 HydrophobicContact CG1-CG2 4.41Å; V243-V247 WeakPolarHBondContact O-CG2 3.48Å; V243-V247 PolarHBondContact O-N 3.4Å; F244-V247 PolarHBondContact O-N 3.34Å; K245-V247 VanDerWaalsContact C-N 3.31Å; K245-V247 PolarHBondContact O-N 2.95Å; V247-E249 PolarHBondContact O-N 2.95Å; V247-A250 PolarHBondContact O-N 3.39Å; V247-I251 HydrophobicContact CG1-CD1 4.21Å; V247-I251 WeakPolarHBondContact O-CG1 3.22Å; V247-I251 PolarHBondContact O-N 2.92Å
248	Q	96.5	Very high	95.6	Very high	89 Å²	89	30.9 Å²	30.9	42%	0.416	17%	0.167	S	C	.	.	H	α-helix	trans	-61.6	-43.6	176.8	-71.9	179.5	-49.2	0	0	112.4	L160 F244 K245 A250 I251 A252	L160-Q248 HydrophobicContact CD2-CG 3.78Å; F244-Q248 WeakPolarHBondContact O-CG 3.23Å; F244-Q248 PolarHBondContact O-N 3.47Å; K245-Q248 PolarHBondContact O-N 2.9Å; Q248-A250 VanDerWaalsContact C-N 3.3Å; Q248-A250 PolarHBondContact O-N 2.92Å; Q248-I251 PolarHBondContact O-N 3.33Å; Q248-A252 WeakPolarHBondContact O-CB 3.38Å; Q248-A252 PolarHBondContact O-N 2.86Å
249	E	94.6	Very high	95.2	Very high	86 Å²	86	29.3 Å²	29.3	40%	0.402	15%	0.153	S	C	.	.	H	α-helix	trans	-61.9	-39	175.5	-73.5	175.7	-176.6	0	0	111.7	K245 Q246 V247 A252 G253	K245-E249 WeakPolarHBondContact CE-OE1 3.26Å; K245-E249 IonicContact NZ-OE1 3.18Å; K245-E249 PolarHBondContact NZ-OE1 3.19Å; K245-E249 WeakPolarHBondContact O-CG 3.48Å; K245-E249 PolarHBondContact O-N 3.45Å; Q246-E249 PolarHBondContact OE1-OE2 3.33Å; V247-E249 PolarHBondContact O-N 2.95Å; E249-A252 PolarHBondContact O-N 3.28Å; E249-G253 PolarHBondContact O-N 2.87Å
250	A	95.6	Very high	94.5	Very high	6 Å²	6	31.2 Å²	31.2	5%	0.05	17%	0.169	C	C	.	.	H	α-helix	trans	-68.1	-39.4	176.2	0	0	0	0	0	112.5	A212 L213 Q246 V247 Q248 G253 I254	A212-A250 HydrophobicContact CB-CB 3.91Å; L213-A250 HydrophobicContact CD2-CB 3.73Å; L213-A250 HydrophobicContact CG-CB 3.72Å; Q246-A250 WeakPolarHBondContact O-CB 3.45Å; Q246-A250 PolarHBondContact O-N 3.49Å; Q246-A250 VanDerWaalsContact O-N 3.09Å; V247-A250 PolarHBondContact O-N 3.39Å; Q248-A250 VanDerWaalsContact C-N 3.3Å; Q248-A250 PolarHBondContact O-N 2.92Å; A250-G253 PolarHBondContact O-N 3.08Å; A250-I254 WeakPolarHBondContact O-CG1 3.42Å; A250-I254 PolarHBondContact O-N 3Å
251	I	96.1	Very high	93.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.8	-47.5	171.6	-66.4	172.8	0	0	0	110.3	L153 V156 E157 L160 L213 V247 Q248 G253 I254 S255	L153-I251 HydrophobicContact CB-CG2 4.26Å; L153-I251 HydrophobicContact CD2-CB 4.4Å; L153-I251 HydrophobicContact CD2-CG2 3.67Å; V156-I251 HydrophobicContact CG1-CD1 3.89Å; V156-I251 HydrophobicContact CG1-CG1 4.45Å; E157-I251 HydrophobicContact CG-CD1 3.83Å; E157-I251 HydrophobicContact CG-CG2 3.6Å; E157-I251 WeakPolarHBondContact OE1-CG2 3.11Å; L160-I251 HydrophobicContact CD2-CD1 4.02Å; L213-I251 HydrophobicContact CD2-CG1 4Å; V247-I251 HydrophobicContact CG1-CD1 4.21Å; V247-I251 WeakPolarHBondContact O-CG1 3.22Å; V247-I251 PolarHBondContact O-N 2.92Å; Q248-I251 PolarHBondContact O-N 3.33Å; I251-G253 VanDerWaalsContact C-N 3.29Å; I251-G253 PolarHBondContact O-N 3.09Å; I251-I254 PolarHBondContact O-N 2.84Å; I251-S255 PolarHBondContact O-N 3.46Å
252	A	93.8	Very high	92.3	Very high	40 Å²	40	29.9 Å²	29.9	33%	0.331	17%	0.167	S	C	.	.	H	α-helix	trans	-61.4	-37.8	177.2	0	0	0	0	0	112	Q248 E249 S255 N256	Q248-A252 WeakPolarHBondContact O-CB 3.38Å; Q248-A252 PolarHBondContact O-N 2.86Å; E249-A252 PolarHBondContact O-N 3.28Å; A252-S255 WeakPolarHBondContact O-CB 3.42Å; A252-S255 PolarHBondContact O-N 2.99Å; A252-N256 WeakPolarHBondContact O-CB 3.47Å; A252-N256 VanDerWaalsContact O-CG 3.27Å; A252-N256 PolarHBondContact O-N 3.07Å; A252-N256 PolarHBondContact O-ND2 3.47Å
253	G	93.5	Very high	90.6	Very high	20 Å²	20	32.4 Å²	32.4	21%	0.206	19%	0.188	C	C	.	.	H	α-helix	trans	-59.4	-47.8	173.9	0	0	0	0	0	112.7	E249 A250 I251 S255 N256 A257	E249-G253 PolarHBondContact O-N 2.87Å; A250-G253 PolarHBondContact O-N 3.08Å; I251-G253 VanDerWaalsContact C-N 3.29Å; I251-G253 PolarHBondContact O-N 3.09Å; G253-S255 VanDerWaalsContact C-N 3.31Å; G253-S255 PolarHBondContact O-N 3.03Å; G253-N256 PolarHBondContact O-N 3.44Å; G253-A257 VanDerWaalsContact O-CB 3.3Å; G253-A257 WeakPolarHBondContact O-CB 3.4Å; G253-A257 PolarHBondContact O-N 3.15Å
254	I	95.5	Very high	88.7	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-61.7	-42.3	174.5	-61.9	177.1	0	0	0	110.6	L149 L153 A190 M206 A209 R210 L213 A250 I251 A258	L149-I254 HydrophobicContact CD1-CG2 4.46Å; L149-I254 HydrophobicContact CD2-CG2 4.5Å; L153-I254 HydrophobicContact CD1-CB 4.45Å; L153-I254 HydrophobicContact CD1-CG2 4.06Å; L153-I254 HydrophobicContact CD2-CB 3.96Å; L153-I254 HydrophobicContact CD2-CG2 3.96Å; L153-I254 HydrophobicContact CG-CG2 4.45Å; A190-I254 HydrophobicContact CB-CD1 4.49Å; A190-I254 HydrophobicContact CB-CG2 4.11Å; M206-I254 HydrophobicContact CE-CG2 4.13Å; A209-I254 HydrophobicContact CB-CG1 3.64Å; R210-I254 HydrophobicContact CG-CD1 3.86Å; R210-I254 HydrophobicContact CG-CG1 4.37Å; L213-I254 HydrophobicContact CD1-CD1 3.47Å; L213-I254 VanDerWaalsContact CD1-CD1 3.47Å; L213-I254 HydrophobicContact CG-CD1 4.46Å; A250-I254 WeakPolarHBondContact O-CG1 3.42Å; A250-I254 PolarHBondContact O-N 3Å; I251-I254 PolarHBondContact O-N 2.84Å; I254-A258 WeakPolarHBondContact O-CB 3.28Å; I254-A258 PolarHBondContact O-N 3.04Å
255	S	94.5	Very high	86.6	Confident	29 Å²	29	38.2 Å²	38.2	20%	0.203	22%	0.223	C	C	.	.	H	α-helix	trans	-60.1	-45.4	178.4	-174	0	0	0	0	112.4	L150 I251 A252 G253 Q259	L150-S255 WeakPolarHBondContact CD2-OG 3.32Å; I251-S255 PolarHBondContact O-N 3.46Å; A252-S255 WeakPolarHBondContact O-CB 3.42Å; A252-S255 PolarHBondContact O-N 2.99Å; G253-S255 VanDerWaalsContact C-N 3.31Å; G253-S255 PolarHBondContact O-N 3.03Å; S255-Q259 WeakPolarHBondContact O-CB 3.35Å; S255-Q259 WeakPolarHBondContact O-CG 3.47Å; S255-Q259 PolarHBondContact O-N 3.23Å; S255-Q259 PolarHBondContact O-NE2 3.05Å; S255-Q259 VanDerWaalsContact O-NE2 3.11Å; S255-Q259 PolarHBondContact OG-NE2 2.9Å
256	N	92.3	Very high	84.4	Confident	45 Å²	45	40.4 Å²	40.4	24%	0.241	24%	0.235	C	C	.	.	H	α-helix	trans	-70.1	-44.4	-179.9	-69.7	-28.2	0	0	0	111.8	A252 G253 Q259 A260 T261	A252-N256 WeakPolarHBondContact O-CB 3.47Å; A252-N256 VanDerWaalsContact O-CG 3.27Å; A252-N256 PolarHBondContact O-N 3.07Å; A252-N256 PolarHBondContact O-ND2 3.47Å; G253-N256 PolarHBondContact O-N 3.44Å; N256-Q259 CarbonylContact O-C 3.58Å; N256-Q259 PolarHBondContact O-N 3.15Å; N256-A260 WeakPolarHBondContact O-CA 3.34Å; N256-A260 PolarHBondContact O-N 3.45Å; N256-T261 PolarHBondContact O-N 3.39Å; N256-T261 PolarHBondContact OD1-OG1 3.41Å
257	A	91.8	Very high	82.1	Confident	0 Å²	0	42 Å²	42	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.7	-39.8	177.6	0	0	0	0	0	112.2	E205 M206 G253 Q259 A260	E205-A257 HydrophobicContact CB-CB 4.08Å; M206-A257 HydrophobicContact CB-CB 3.91Å; M206-A257 HydrophobicContact CE-CB 4.11Å; G253-A257 VanDerWaalsContact O-CB 3.3Å; G253-A257 WeakPolarHBondContact O-CB 3.4Å; G253-A257 PolarHBondContact O-N 3.15Å; A257-Q259 PolarHBondContact O-N 3.1Å; A257-A260 PolarHBondContact O-N 3.17Å
258	A	91.7	Very high	80.1	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-62	-35	176.2	0	0	0	0	0	112.7	L149 M206 I254	L149-A258 HydrophobicContact CD2-CB 3.57Å; L149-A258 HydrophobicContact CG-CB 4.5Å; M206-A258 HydrophobicContact CE-CB 3.63Å; I254-A258 WeakPolarHBondContact O-CB 3.28Å; I254-A258 PolarHBondContact O-N 3.04Å
259	Q	89.2	Confident	78.3	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.019	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-0.5	-179.2	-65.6	178.8	86.2	0	0	113.3	R20 V146 L150 S255 N256 A257 T261	R20-Q259 PolarHBondContact NH1-O 2.98Å; V146-Q259 HydrophobicContact CG1-CG 3.95Å; L150-Q259 HydrophobicContact CD1-CG 4.19Å; L150-Q259 HydrophobicContact CD2-CG 4.28Å; S255-Q259 WeakPolarHBondContact O-CB 3.35Å; S255-Q259 WeakPolarHBondContact O-CG 3.47Å; S255-Q259 PolarHBondContact O-N 3.23Å; S255-Q259 PolarHBondContact O-NE2 3.05Å; S255-Q259 VanDerWaalsContact O-NE2 3.11Å; S255-Q259 PolarHBondContact OG-NE2 2.9Å; N256-Q259 CarbonylContact O-C 3.58Å; N256-Q259 PolarHBondContact O-N 3.15Å; A257-Q259 PolarHBondContact O-N 3.1Å; Q259-T261 HydrophobicContact CB-CG2 3.88Å; Q259-T261 WeakPolarHBondContact O-CG2 3.32Å; Q259-T261 PolarHBondContact O-N 3.06Å
260	A	83	Confident	76.9	Confident	40 Å²	40	43 Å²	43	33%	0.331	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	43.5	-172.6	0	0	0	0	0	112.7	N256 A257	N256-A260 WeakPolarHBondContact O-CA 3.34Å; N256-A260 PolarHBondContact O-N 3.45Å; A257-A260 PolarHBondContact O-N 3.17Å
261	T	79.6	Confident	75.4	Confident	46 Å²	46	45.5 Å²	45.5	28%	0.282	29%	0.286	S	S	.	.			trans	-107.5	5.4	179.4	60.2	0	0	0	0	113.6	K11 N256 Q259	K11-T261 HydrophobicContact CB-CG2 3.7Å; K11-T261 HydrophobicContact CD-CG2 3.94Å; N256-T261 PolarHBondContact O-N 3.39Å; N256-T261 PolarHBondContact OD1-OG1 3.41Å; Q259-T261 HydrophobicContact CB-CG2 3.88Å; Q259-T261 WeakPolarHBondContact O-CG2 3.32Å; Q259-T261 PolarHBondContact O-N 3.06Å
262	S	68.5	Low	74.6	Confident	23 Å²	23	46.6 Å²	46.6	16%	0.161	30%	0.297	C	S	.	.	S	Bend	trans	-61.4	133.9	175	-60.3	0	0	0	0	109.2	E205 T264	E205-S262 WeakPolarHBondContact OE2-CB 3.4Å; E205-S262 PolarHBondContact OE2-OG 3.3Å; S262-T264 PolarHBondContact O-N 3.06Å
263	P	61.6	Low	74.2	Confident	88 Å²	88	47.3 Å²	47.3	57%	0.571	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-55.5	133.8	162.9	-15.1	27.7	0	0	0	107.7	D265 A267	P263-D265 PolarHBondContact O-N 2.82Å; P263-A267 HydrophobicContact CB-CB 4.12Å
264	T	57.5	Low	74	Confident	100 Å²	100	46.4 Å²	46.4	61%	0.613	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-50.1	139.6	168.7	33.4	0	0	0	0	109.3	S262 E266 A267	S262-T264 PolarHBondContact O-N 3.06Å; T264-E266 PolarHBondContact O-N 3.32Å; T264-A267 PolarHBondContact O-N 2.87Å
265	D	53.9	Low	73.8	Confident	25 Å²	25	53.1 Å²	53.1	13%	0.134	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-51.9	-12.8	-167.3	-89.9	-32.5	0	0	0	116.1	H201 P263 A267 K268 T271 K446	H201-D265 VanDerWaalsContact CE1-CG 3.4Å; H201-D265 IonicContact CE1-OD1 3.61Å; H201-D265 IonicContact CE1-OD2 2.74Å; H201-D265 PolarHBondContact CE1-OD2 3.21Å; H201-D265 IonicContact ND1-OD2 3.67Å; H201-D265 PolarHBondContact ND1-OD2 3.15Å; P263-D265 PolarHBondContact O-N 2.82Å; D265-A267 PolarHBondContact O-N 3.38Å; D265-K268 PolarHBondContact O-N 3.12Å; D265-K268 IonicContact OD1-NZ 3.68Å; D265-K268 PolarHBondContact OD1-NZ 2.86Å; D265-T271 HydrophobicContact CB-CG2 4Å; D265-K446 WeakPolarHBondContact OD2-CE 3.44Å; D265-K446 IonicContact OD2-NZ 2.66Å; D265-K446 PolarHBondContact OD2-NZ 3.3Å
266	E	50.7	Low	73.7	Confident	160 Å²	160	52.7 Å²	52.7	75%	0.748	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-47.6	-30.9	170.5	-64.5	-173.5	161.9	0	0	112.9	T264 K268	T264-E266 PolarHBondContact O-N 3.32Å; E266-K268 PolarHBondContact O-N 2.91Å
267	A	47.2	Very low	73.7	Confident	78 Å²	78	50.6 Å²	50.6	65%	0.645	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-72.6	-20.5	179.9	0	0	0	0	0	114.8	P263 T264 D265	P263-A267 HydrophobicContact CB-CB 4.12Å; T264-A267 PolarHBondContact O-N 2.87Å; D265-A267 PolarHBondContact O-N 3.38Å
268	K	55.4	Low	73.7	Confident	109 Å²	109	52.3 Å²	52.3	47%	0.474	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-90.5	-5.3	-175.7	-64.7	177.6	-165.5	142.6	0	113.4	E205 D265 E266 H270	E205-K268 IonicContact OE1-NZ 2.83Å; E205-K268 PolarHBondContact OE1-NZ 3.44Å; D265-K268 PolarHBondContact O-N 3.12Å; D265-K268 IonicContact OD1-NZ 3.68Å; D265-K268 PolarHBondContact OD1-NZ 2.86Å; E266-K268 PolarHBondContact O-N 2.91Å; K268-H270 PolarHBondContact O-N 2.87Å; K268-H270 VanDerWaalsContact O-N 3.16Å
269	G	59	Low	73.8	Confident	46 Å²	46	52.3 Å²	52.3	47%	0.474	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	14.7	177.1	0	0	0	0	0	115.2	R449	G269-R449 PolarHBondContact O-NH1 3.21Å
270	H	64.4	Low	74	Confident	42 Å²	42	52.3 Å²	52.3	19%	0.194	32%	0.315	C	S	.	.			trans	-98.6	5.7	177.6	-60.7	-46.3	0	0	0	113.1	K268 K446 R449	K268-H270 PolarHBondContact O-N 2.87Å; K268-H270 VanDerWaalsContact O-N 3.16Å; H270-K446 HydrophobicContact CB-CG 4.29Å; H270-K446 WeakPolarHBondContact O-CB 3.06Å; H270-R449 HydrophobicContact CB-CB 4.44Å
271	T	65.2	Low	74.4	Confident	59 Å²	59	52.5 Å²	52.5	36%	0.362	31%	0.311	S	S	.	.			trans	-96.7	153.6	-175.1	55.4	0	0	0	0	112.1	D265	D265-T271 HydrophobicContact CB-CG2 4Å
272	G	79	Confident	75	Confident	23 Å²	23	54 Å²	54	24%	0.237	31%	0.314	C	S	.	.	S	Bend	trans	95.9	160.2	-179.8	0	0	0	0	0	114.7	E442	G272-E442 WeakPolarHBondContact CA-OE1 3.35Å; G272-E442 PolarHBondContact N-OE1 3.33Å
273	I	85.6	Confident	76.3	Confident	55 Å²	55	52.9 Å²	52.9	28%	0.282	31%	0.306	S	S	.	.	S	Bend	trans	-68.3	166.6	172.3	64.7	172.7	0	0	0	111.4	A278 N440 E442	I273-A278 HydrophobicContact CD1-CB 3.91Å; I273-A278 HydrophobicContact CG1-CB 3.88Å; I273-N440 VanDerWaalsContact CG2-O 3.29Å; I273-N440 WeakPolarHBondContact CG2-O 3.35Å; I273-E442 HydrophobicContact CG2-CB 4.3Å
274	G	87.6	Confident	77.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.286	C	S	.	.			trans	-53.5	143.3	177.9	0	0	0	0	0	114	L276 A277 A278 C436 S437 S439	G274-L276 VanDerWaalsContact C-N 3.34Å; G274-L276 PolarHBondContact O-N 3.3Å; G274-A277 WeakPolarHBondContact O-CB 3.39Å; G274-A277 PolarHBondContact O-N 3.18Å; G274-A278 VanDerWaalsContact O-CB 3.31Å; G274-A278 WeakPolarHBondContact O-CB 3.31Å; G274-A278 PolarHBondContact O-N 3.45Å; G274-C436 WeakPolarHBondContact CA-O 3.25Å; G274-S437 CarbonylContact C-O 3.59Å; G274-S437 VanDerWaalsContact C-O 3.23Å; G274-S437 WeakPolarHBondContact CA-O 3.42Å; G274-S439 PolarHBondContact N-O 3.18Å
275	E	91.2	Very high	79.3	Confident	143 Å²	143	50.7 Å²	50.7	67%	0.668	29%	0.286	S	S	*	.	H	α-helix	trans	-60.7	-40.7	-176.1	-66.5	170.8	-159.5	0	0	112.8	A279 S437	E275-A279 VanDerWaalsContact O-CB 3.28Å; E275-A279 WeakPolarHBondContact O-CB 3.42Å; E275-A279 PolarHBondContact O-N 3.17Å; E275-S437 PolarHBondContact N-O 3.33Å
276	L	92.5	Very high	81.1	Confident	19 Å²	19	53.2 Å²	53.2	10%	0.099	30%	0.296	C	S	.	.	H	α-helix	trans	-75.8	-36.8	177.7	-171.6	56.6	0	0	0	111.1	G274 A279 L280 I310 L380 S437 I438	G274-L276 VanDerWaalsContact C-N 3.34Å; G274-L276 PolarHBondContact O-N 3.3Å; L276-A279 WeakPolarHBondContact O-CB 3.44Å; L276-A279 PolarHBondContact O-N 2.88Å; L276-L280 HydrophobicContact CD1-CD1 4.35Å; L276-L280 HydrophobicContact CG-CD1 3.99Å; L276-L280 WeakPolarHBondContact O-CB 3.37Å; L276-L280 VanDerWaalsContact O-CD1 3.3Å; L276-L280 WeakPolarHBondContact O-CD1 3.38Å; L276-L280 VanDerWaalsContact O-CG 3.27Å; L276-L280 WeakPolarHBondContact O-CG 3.46Å; L276-L280 PolarHBondContact O-N 3.49Å; L276-I310 HydrophobicContact CD1-CB 4.35Å; L276-I310 HydrophobicContact CD1-CG1 4.37Å; L276-I310 HydrophobicContact CD1-CG2 4.09Å; L276-L380 HydrophobicContact CD2-CD1 3.9Å; L276-S437 CarbonylContact C-O 3Å; L276-S437 WeakPolarHBondContact CA-O 3.42Å; L276-S437 WeakPolarHBondContact CB-O 3.5Å; L276-S437 PolarHBondContact N-O 3.46Å; L276-I438 HydrophobicContact CD2-CG2 4.05Å
277	A	92.2	Very high	83	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.008	26%	0.26	C	S	.	.	H	α-helix	trans	-60.5	-48.5	171.6	0	0	0	0	0	111.7	G274 A279 L280 N281 S437 S439	G274-A277 WeakPolarHBondContact O-CB 3.39Å; G274-A277 PolarHBondContact O-N 3.18Å; A277-A279 VanDerWaalsContact C-N 3.31Å; A277-A279 PolarHBondContact O-N 2.84Å; A277-L280 PolarHBondContact O-N 3.44Å; A277-N281 WeakPolarHBondContact O-CB 3.06Å; A277-N281 PolarHBondContact O-N 2.82Å; A277-N281 PolarHBondContact O-ND2 2.81Å; A277-N281 PolarHBondContact O-OD1 3.18Å; A277-S437 PolarHBondContact N-O 3.47Å; A277-S439 WeakPolarHBondContact CB-O 3.22Å
278	A	92.6	Very high	84.8	Confident	37 Å²	37	46.6 Å²	46.6	31%	0.306	25%	0.254	S	S	.	.	H	α-helix	trans	-57.3	-45.2	173.7	0	0	0	0	0	111.3	I273 G274 N281 E282	I273-A278 HydrophobicContact CD1-CB 3.91Å; I273-A278 HydrophobicContact CG1-CB 3.88Å; G274-A278 VanDerWaalsContact O-CB 3.31Å; G274-A278 WeakPolarHBondContact O-CB 3.31Å; G274-A278 PolarHBondContact O-N 3.45Å; A278-N281 PolarHBondContact O-N 3.33Å; A278-E282 VanDerWaalsContact O-CB 3.24Å; A278-E282 WeakPolarHBondContact O-CB 3.4Å; A278-E282 PolarHBondContact O-N 2.97Å
279	A	93.2	Very high	86.2	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.008	24%	0.237	C	C	.	.	H	α-helix	trans	-59.3	-47.7	177.8	0	0	0	0	0	112.9	E275 L276 A277 E282 F283 I310	E275-A279 VanDerWaalsContact O-CB 3.28Å; E275-A279 WeakPolarHBondContact O-CB 3.42Å; E275-A279 PolarHBondContact O-N 3.17Å; L276-A279 WeakPolarHBondContact O-CB 3.44Å; L276-A279 PolarHBondContact O-N 2.88Å; A277-A279 VanDerWaalsContact C-N 3.31Å; A277-A279 PolarHBondContact O-N 2.84Å; A279-E282 PolarHBondContact O-N 3.37Å; A279-F283 WeakPolarHBondContact O-CB 3.41Å; A279-F283 PolarHBondContact O-N 2.98Å; A279-I310 HydrophobicContact CB-CD1 4.34Å; A279-I310 HydrophobicContact CB-CG1 3.76Å
280	L	93.6	Very high	87.2	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-66.8	-40.1	179	-71.1	156.4	0	0	0	111.2	L276 A277 F283 D284 I310 T373 L376 R377 L380	L276-L280 HydrophobicContact CD1-CD1 4.35Å; L276-L280 HydrophobicContact CG-CD1 3.99Å; L276-L280 WeakPolarHBondContact O-CB 3.37Å; L276-L280 VanDerWaalsContact O-CD1 3.3Å; L276-L280 WeakPolarHBondContact O-CD1 3.38Å; L276-L280 VanDerWaalsContact O-CG 3.27Å; L276-L280 WeakPolarHBondContact O-CG 3.46Å; L276-L280 PolarHBondContact O-N 3.49Å; A277-L280 PolarHBondContact O-N 3.44Å; L280-F283 PolarHBondContact O-N 3.06Å; L280-D284 PolarHBondContact O-N 2.91Å; L280-I310 HydrophobicContact CD2-CD1 4.07Å; L280-I310 HydrophobicContact CD2-CG1 4.42Å; L280-I310 HydrophobicContact CD2-CG2 3.54Å; L280-I310 HydrophobicContact CG-CD1 4.27Å; L280-I310 HydrophobicContact CG-CG1 4.38Å; L280-I310 HydrophobicContact CG-CG2 4.07Å; L280-T373 HydrophobicContact CD2-CG2 3.55Å; L280-L376 HydrophobicContact CD2-CD2 4.43Å; L280-R377 VanDerWaalsContact CB-CZ 3.44Å; L280-R377 VanDerWaalsContact CB-NH2 3.32Å; L280-R377 HydrophobicContact CD1-CG 3.73Å; L280-R377 HydrophobicContact CD2-CG 4.49Å; L280-R377 PolarHBondContact O-NH2 3.46Å; L280-R377 VanDerWaalsContact O-NH2 3.16Å; L280-L380 HydrophobicContact CD1-CD1 4.19Å
281	N	92.5	Very high	87.9	Confident	44 Å²	44	42.4 Å²	42.4	24%	0.235	23%	0.228	C	C	.	.	H	α-helix	trans	-66.6	-42.2	176.6	-66	-12.9	0	0	0	111.5	A277 A278 F283 D284 N285 R377 N440	A277-N281 WeakPolarHBondContact O-CB 3.06Å; A277-N281 PolarHBondContact O-N 2.82Å; A277-N281 PolarHBondContact O-ND2 2.81Å; A277-N281 PolarHBondContact O-OD1 3.18Å; A278-N281 PolarHBondContact O-N 3.33Å; N281-F283 VanDerWaalsContact C-N 3.31Å; N281-D284 PolarHBondContact O-N 2.89Å; N281-N285 WeakPolarHBondContact O-CB 3.44Å; N281-N285 VanDerWaalsContact O-CG 3.26Å; N281-N285 PolarHBondContact O-N 3.41Å; N281-N285 PolarHBondContact O-ND2 3.27Å; N281-R377 PolarHBondContact OD1-NH2 3.31Å; N281-N440 PolarHBondContact ND2-OD1 3.47Å
282	E	92.5	Very high	88.4	Confident	76 Å²	76	43.8 Å²	43.8	36%	0.355	23%	0.231	S	C	.	.	H	α-helix	trans	-61.2	-42.9	173.7	-174.1	-170.3	-176.6	0	0	110.8	A278 A279 N285 K286 R306	A278-E282 VanDerWaalsContact O-CB 3.24Å; A278-E282 WeakPolarHBondContact O-CB 3.4Å; A278-E282 PolarHBondContact O-N 2.97Å; A279-E282 PolarHBondContact O-N 3.37Å; E282-N285 PolarHBondContact O-N 2.72Å; E282-K286 HydrophobicContact CG-CD 4.15Å; E282-K286 HydrophobicContact CG-CG 4.46Å; E282-K286 WeakPolarHBondContact O-CB 3.48Å; E282-K286 VanDerWaalsContact O-CG 3.28Å; E282-K286 WeakPolarHBondContact O-CG 3.41Å; E282-K286 PolarHBondContact O-N 3.28Å; E282-K286 WeakPolarHBondContact OE1-CE 3.24Å; E282-K286 IonicContact OE1-NZ 2.72Å; E282-K286 PolarHBondContact OE1-NZ 3.26Å; E282-R306 WeakPolarHBondContact OE2-CD 3.21Å; E282-R306 IonicContact OE2-CZ 3.07Å; E282-R306 IonicContact OE2-NH1 3.86Å; E282-R306 PolarHBondContact OE2-NH1 2.97Å
283	F	94.5	Very high	88.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.9	-49.3	177.4	-177.7	-98.4	0	0	0	111.9	A279 L280 N281 N285 K286 I287 L303 R306 L307 I310 L342 M369 T373	A279-F283 WeakPolarHBondContact O-CB 3.41Å; A279-F283 PolarHBondContact O-N 2.98Å; L280-F283 PolarHBondContact O-N 3.06Å; N281-F283 VanDerWaalsContact C-N 3.31Å; F283-N285 VanDerWaalsContact C-N 3.26Å; F283-N285 PolarHBondContact O-N 3Å; F283-K286 PolarHBondContact O-N 3.15Å; F283-I287 HydrophobicContact CD1-CG2 4.37Å; F283-I287 HydrophobicContact CE1-CG2 3.97Å; F283-I287 HydrophobicContact CE2-CG2 4.33Å; F283-I287 HydrophobicContact CZ-CG2 3.95Å; F283-I287 WeakPolarHBondContact O-CG2 3.23Å; F283-I287 PolarHBondContact O-N 3.07Å; F283-L303 HydrophobicContact CD2-CD2 4.41Å; F283-L303 HydrophobicContact CE2-CD2 4.22Å; F283-R306 HydrophobicContact CB-CG 4.04Å; F283-R306 HydrophobicContact CD2-CB 4.28Å; F283-R306 HydrophobicContact CD2-CG 3.98Å; F283-R306 HydrophobicContact CG-CG 4.49Å; F283-L307 HydrophobicContact CD2-CB 4.42Å; F283-L307 HydrophobicContact CE2-CB 3.8Å; F283-L307 HydrophobicContact CZ-CB 4.26Å; F283-L307 HydrophobicContact CZ-CD1 4.33Å; F283-I310 HydrophobicContact CB-CD1 3.66Å; F283-I310 HydrophobicContact CD2-CD1 4.42Å; F283-I310 HydrophobicContact CG-CD1 3.99Å; F283-L342 HydrophobicContact CE2-CD2 4.36Å; F283-L342 HydrophobicContact CZ-CD1 4.22Å; F283-L342 HydrophobicContact CZ-CD2 4.29Å; F283-M369 HydrophobicContact CE1-CE 3.53Å; F283-M369 HydrophobicContact CE1-SD 4.31Å; F283-M369 HydrophobicContact CZ-CE 3.97Å; F283-M369 HydrophobicContact CZ-SD 4.41Å; F283-T373 HydrophobicContact CD1-CG2 4.41Å
284	D	92.1	Very high	88.3	Confident	26 Å²	26	44.8 Å²	44.8	14%	0.139	23%	0.234	C	C	.	.	H	α-helix	trans	-61.7	-33.6	177.1	-73.6	-24.3	0	0	0	112.7	L280 N281 I287 T373 R377	L280-D284 PolarHBondContact O-N 2.91Å; N281-D284 PolarHBondContact O-N 2.89Å; D284-I287 WeakPolarHBondContact O-CG1 3.3Å; D284-T373 WeakPolarHBondContact OD1-CB 3.2Å; D284-T373 VanDerWaalsContact OD1-CG2 3.3Å; D284-T373 WeakPolarHBondContact OD1-CG2 3.34Å; D284-T373 PolarHBondContact OD1-OG1 3.39Å; D284-R377 IonicContact OD2-CZ 3.38Å; D284-R377 IonicContact OD2-NH1 3.45Å; D284-R377 PolarHBondContact OD2-NH1 3.1Å; D284-R377 IonicContact OD2-NH2 3.48Å; D284-R377 PolarHBondContact OD2-NH2 3.25Å
285	N	91.2	Very high	88.1	Confident	117 Å²	117	47.3 Å²	47.3	63%	0.626	25%	0.252	S	S	*	.	H	α-helix	trans	-71.7	-39.1	173.2	-73.4	-38.4	0	0	0	112	N281 E282 F283 I287 I288	N281-N285 WeakPolarHBondContact O-CB 3.44Å; N281-N285 VanDerWaalsContact O-CG 3.26Å; N281-N285 PolarHBondContact O-N 3.41Å; N281-N285 PolarHBondContact O-ND2 3.27Å; E282-N285 PolarHBondContact O-N 2.72Å; F283-N285 VanDerWaalsContact C-N 3.26Å; F283-N285 PolarHBondContact O-N 3Å; N285-I287 PolarHBondContact O-N 2.97Å; N285-I288 PolarHBondContact O-N 2.92Å
286	K	90.5	Very high	87.8	Confident	77 Å²	77	43.9 Å²	43.9	34%	0.335	24%	0.235	S	C	.	.	H	α-helix	trans	-71	-25.7	-179	-79.8	-178.1	-179.7	174.7	0	113.7	E282 F283 I288 L289 L303	E282-K286 HydrophobicContact CG-CD 4.15Å; E282-K286 HydrophobicContact CG-CG 4.46Å; E282-K286 WeakPolarHBondContact O-CB 3.48Å; E282-K286 VanDerWaalsContact O-CG 3.28Å; E282-K286 WeakPolarHBondContact O-CG 3.41Å; E282-K286 PolarHBondContact O-N 3.28Å; E282-K286 WeakPolarHBondContact OE1-CE 3.24Å; E282-K286 IonicContact OE1-NZ 2.72Å; E282-K286 PolarHBondContact OE1-NZ 3.26Å; F283-K286 PolarHBondContact O-N 3.15Å; K286-I288 VanDerWaalsContact C-N 3.26Å; K286-I288 PolarHBondContact O-N 3.2Å; K286-L289 WeakPolarHBondContact O-CD2 3.42Å; K286-L289 WeakPolarHBondContact O-CG 3.39Å; K286-L303 HydrophobicContact CB-CD2 3.76Å
287	I	90.2	Very high	87.5	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-19	176.3	59.7	168.3	0	0	0	112.6	F283 D284 N285 L289 L303 L345 Y349 M369	F283-I287 HydrophobicContact CD1-CG2 4.37Å; F283-I287 HydrophobicContact CE1-CG2 3.97Å; F283-I287 HydrophobicContact CE2-CG2 4.33Å; F283-I287 HydrophobicContact CZ-CG2 3.95Å; F283-I287 WeakPolarHBondContact O-CG2 3.23Å; F283-I287 PolarHBondContact O-N 3.07Å; D284-I287 WeakPolarHBondContact O-CG1 3.3Å; N285-I287 PolarHBondContact O-N 2.97Å; I287-L289 PolarHBondContact O-N 3.09Å; I287-L303 HydrophobicContact CG2-CD2 4.02Å; I287-L345 HydrophobicContact CB-CD2 3.88Å; I287-L345 HydrophobicContact CG2-CD2 4.14Å; I287-Y349 PolarHBondContact O-OH 2.86Å; I287-Y349 VanDerWaalsContact O-OH 3.04Å; I287-M369 HydrophobicContact CD1-CB 4.11Å; I287-M369 HydrophobicContact CD1-CG 3.48Å; I287-M369 VanDerWaalsContact CD1-CG 3.48Å; I287-M369 HydrophobicContact CG2-CG 4.27Å
288	I	86.3	Confident	87.2	Confident	100 Å²	100	55.9 Å²	55.9	51%	0.513	30%	0.298	S	S	.	.			trans	-83	83.6	178.1	-54.6	174	0	0	0	109.3	N285 K286	N285-I288 PolarHBondContact O-N 2.92Å; K286-I288 VanDerWaalsContact C-N 3.26Å; K286-I288 PolarHBondContact O-N 3.2Å
289	L	84.9	Confident	87	Confident	21 Å²	21	55.6 Å²	55.6	11%	0.11	29%	0.29	C	S	.	.			trans	-101.6	150.8	-179.9	-56.5	174.1	0	0	0	112.1	K286 I287 P291 F294 F299 L303 Y349	K286-L289 WeakPolarHBondContact O-CD2 3.42Å; K286-L289 WeakPolarHBondContact O-CG 3.39Å; I287-L289 PolarHBondContact O-N 3.09Å; L289-P291 WeakPolarHBondContact O-CD 3.44Å; L289-F294 HydrophobicContact CD1-CD2 3.72Å; L289-F294 HydrophobicContact CD1-CE2 4.01Å; L289-F299 HydrophobicContact CD1-CB 4.04Å; L289-F299 HydrophobicContact CD1-CD1 3.85Å; L289-F299 HydrophobicContact CD1-CD2 4.17Å; L289-F299 HydrophobicContact CD1-CE1 4.33Å; L289-F299 HydrophobicContact CD1-CG 3.76Å; L289-F299 HydrophobicContact CD2-CD1 3.77Å; L289-F299 HydrophobicContact CD2-CE1 3.57Å; L289-F299 HydrophobicContact CD2-CG 4.47Å; L289-F299 HydrophobicContact CD2-CZ 4.13Å; L289-F299 HydrophobicContact CG-CD1 4.49Å; L289-L303 HydrophobicContact CD1-CD1 4.48Å; L289-Y349 HydrophobicContact CB-CE1 3.87Å; L289-Y349 HydrophobicContact CB-CE2 4.42Å; L289-Y349 PolarHBondContact N-OH 2.92Å; L289-Y349 WeakPolarHBondContact O-CE1 3.27Å; L289-Y349 PolarHBondContact O-OH 3.45Å
290	D	80.6	Confident	86.9	Confident	83 Å²	83	58.3 Å²	58.3	44%	0.444	30%	0.3	S	S	.	.			trans	-76.4	117.5	165.6	176.6	7.1	0	0	0	109.4	M292 T293 F294	D290-M292 PolarHBondContact O-N 3.09Å; D290-M292 PolarHBondContact OD1-N 2.53Å; D290-T293 HydrophobicContact CB-CG2 4.33Å; D290-T293 PolarHBondContact O-N 2.92Å; D290-T293 PolarHBondContact O-OG1 2.85Å; D290-F294 PolarHBondContact O-N 3.32Å
291	P	77.3	Confident	86.9	Confident	5 Å²	5	61.6 Å²	61.6	3%	0.032	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-25.8	178.9	-24.5	33.5	0	0	0	114.7	L289 T293 Y349 N352 K358 L362	L289-P291 WeakPolarHBondContact O-CD 3.44Å; P291-T293 VanDerWaalsContact C-N 3.33Å; P291-Y349 HydrophobicContact CG-CE1 4.22Å; P291-N352 HydrophobicContact CB-CB 4.46Å; P291-K358 HydrophobicContact CG-CG 3.91Å; P291-L362 HydrophobicContact CG-CD2 3.75Å
292	M	76.6	Confident	86.9	Confident	88 Å²	88	61.5 Å²	61.5	43%	0.433	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-27.5	177.1	-76.6	-66.8	-153.1	0	0	113.5	D290 K356	D290-M292 PolarHBondContact O-N 3.09Å; D290-M292 PolarHBondContact OD1-N 2.53Å; M292-K356 HydrophobicContact CE-CB 4.09Å; M292-K356 HydrophobicContact CE-CD 4.48Å; M292-K356 HydrophobicContact CE-CG 3.25Å
293	T	80.1	Confident	86.9	Confident	83 Å²	83	58 Å²	58	51%	0.509	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-5	-177.3	67.2	0	0	0	0	112.9	D290 P291 S295 F299	D290-T293 HydrophobicContact CB-CG2 4.33Å; D290-T293 PolarHBondContact O-N 2.92Å; D290-T293 PolarHBondContact O-OG1 2.85Å; P291-T293 VanDerWaalsContact C-N 3.33Å; T293-S295 PolarHBondContact O-N 3.03Å; T293-F299 WeakPolarHBondContact O-CE2 3.3Å
294	F	82	Confident	87	Confident	15 Å²	15	61.2 Å²	61.2	7%	0.066	32%	0.323	C	S	.	.			trans	-62	125.3	-176.9	-178.4	-100.9	0	0	0	111.4	L289 D290 E296 F299 L346 Y349 M350	L289-F294 HydrophobicContact CD1-CD2 3.72Å; L289-F294 HydrophobicContact CD1-CE2 4.01Å; D290-F294 PolarHBondContact O-N 3.32Å; F294-E296 HydrophobicContact CE1-CB 4.13Å; F294-E296 HydrophobicContact CZ-CB 4.36Å; F294-F299 HydrophobicContact CD2-CD2 4Å; F294-F299 HydrophobicContact CE2-CB 4.18Å; F294-F299 HydrophobicContact CE2-CD2 4.41Å; F294-L346 HydrophobicContact CE2-CD2 4.05Å; F294-L346 HydrophobicContact CZ-CD2 4.01Å; F294-Y349 HydrophobicContact CB-CD1 4.38Å; F294-Y349 HydrophobicContact CD2-CD1 4.12Å; F294-Y349 AromaticContact CD2-CG 3.94Å; F294-Y349 HydrophobicContact CD2-CG 3.94Å; F294-Y349 HydrophobicContact CE2-CD2 4.41Å; F294-Y349 HydrophobicContact CE2-CG 4.07Å; F294-Y349 HydrophobicContact CG-CD1 4.21Å; F294-Y349 HydrophobicContact CG-CG 4.26Å; F294-M350 HydrophobicContact CE1-CG 3.85Å
295	S	83.7	Confident	87.1	Confident	54 Å²	54	67 Å²	67	38%	0.378	35%	0.35	S	S	.	.			trans	-130.5	111.7	170.6	175.1	0	0	0	0	108.7	T293 A297 R298 F299	T293-S295 PolarHBondContact O-N 3.03Å; S295-A297 VanDerWaalsContact C-N 3.3Å; S295-A297 PolarHBondContact O-N 3.5Å; S295-R298 PolarHBondContact O-N 3.44Å; S295-F299 VanDerWaalsContact O-CD2 3.28Å; S295-F299 WeakPolarHBondContact O-CD2 3.13Å; S295-F299 PolarHBondContact O-N 2.89Å
296	E	84.3	Confident	87.3	Confident	70 Å²	70	63.9 Å²	63.9	33%	0.327	33%	0.329	S	S	.	.	H	α-helix	trans	-50.8	-48.5	179.3	-177.6	-176.9	-172.3	0	0	112.1	F294 R298 F299 R300 M350	F294-E296 HydrophobicContact CE1-CB 4.13Å; F294-E296 HydrophobicContact CZ-CB 4.36Å; E296-R298 PolarHBondContact O-N 3.5Å; E296-R298 VanDerWaalsContact O-N 3.17Å; E296-F299 PolarHBondContact O-N 2.75Å; E296-R300 VanDerWaalsContact O-CB 3.27Å; E296-R300 WeakPolarHBondContact O-CB 3.18Å; E296-R300 PolarHBondContact O-N 3.29Å; E296-R300 IonicContact OE1-CZ 3.49Å; E296-R300 IonicContact OE1-NH1 2.71Å; E296-R300 PolarHBondContact OE1-NH1 2.8Å; E296-R300 IonicContact OE1-NH2 3.93Å; E296-R300 PolarHBondContact OE1-NH2 3.24Å; E296-M350 HydrophobicContact CG-SD 4.23Å; E296-M350 VanDerWaalsContact OE1-SD 3.42Å; E296-M350 WeakPolarHBondContact OE2-CE 3.44Å
297	A	87.1	Confident	87.5	Confident	88 Å²	88	60.4 Å²	60.4	73%	0.727	31%	0.314	S	S	*	.	H	α-helix	trans	-61.3	-25.3	179.8	0	0	0	0	0	113.7	S295	S295-A297 VanDerWaalsContact C-N 3.3Å; S295-A297 PolarHBondContact O-N 3.5Å
298	R	86.2	Confident	87.8	Confident	185 Å²	185	64.5 Å²	64.5	70%	0.698	33%	0.333	S	S	*	.	H	α-helix	trans	-90.5	-47.9	179.1	-175.2	-177.7	177.1	-169.1	-1.8	112.2	S295 E296	S295-R298 PolarHBondContact O-N 3.44Å; E296-R298 PolarHBondContact O-N 3.5Å; E296-R298 VanDerWaalsContact O-N 3.17Å
299	F	87.6	Confident	88.2	Confident	31 Å²	31	62.6 Å²	62.6	14%	0.136	33%	0.328	C	S	.	.	H	α-helix	trans	-87.9	-37.3	-169.7	-68.1	-75	0	0	0	113.3	L289 T293 F294 S295 E296 S302 L303	L289-F299 HydrophobicContact CD1-CB 4.04Å; L289-F299 HydrophobicContact CD1-CD1 3.85Å; L289-F299 HydrophobicContact CD1-CD2 4.17Å; L289-F299 HydrophobicContact CD1-CE1 4.33Å; L289-F299 HydrophobicContact CD1-CG 3.76Å; L289-F299 HydrophobicContact CD2-CD1 3.77Å; L289-F299 HydrophobicContact CD2-CE1 3.57Å; L289-F299 HydrophobicContact CD2-CG 4.47Å; L289-F299 HydrophobicContact CD2-CZ 4.13Å; L289-F299 HydrophobicContact CG-CD1 4.49Å; T293-F299 WeakPolarHBondContact O-CE2 3.3Å; F294-F299 HydrophobicContact CD2-CD2 4Å; F294-F299 HydrophobicContact CE2-CB 4.18Å; F294-F299 HydrophobicContact CE2-CD2 4.41Å; S295-F299 VanDerWaalsContact O-CD2 3.28Å; S295-F299 WeakPolarHBondContact O-CD2 3.13Å; S295-F299 PolarHBondContact O-N 2.89Å; E296-F299 PolarHBondContact O-N 2.75Å; F299-S302 PolarHBondContact O-N 3.03Å; F299-S302 PolarHBondContact O-OG 2.95Å; F299-L303 HydrophobicContact CB-CD1 4.39Å; F299-L303 WeakPolarHBondContact O-CG 3.16Å; F299-L303 PolarHBondContact O-N 3.43Å
300	R	91.1	Very high	88.7	Confident	58 Å²	58	61.6 Å²	61.6	22%	0.219	32%	0.323	C	S	.	.	H	α-helix	trans	-57.1	-51.8	-176.4	177.3	178.4	-67	142.8	8.6	112.3	E296 S302 L303 E304 L346 M350	E296-R300 VanDerWaalsContact O-CB 3.27Å; E296-R300 WeakPolarHBondContact O-CB 3.18Å; E296-R300 PolarHBondContact O-N 3.29Å; E296-R300 IonicContact OE1-CZ 3.49Å; E296-R300 IonicContact OE1-NH1 2.71Å; E296-R300 PolarHBondContact OE1-NH1 2.8Å; E296-R300 IonicContact OE1-NH2 3.93Å; E296-R300 PolarHBondContact OE1-NH2 3.24Å; R300-S302 VanDerWaalsContact C-N 3.29Å; R300-S302 PolarHBondContact O-N 3.28Å; R300-L303 PolarHBondContact O-N 3.47Å; R300-E304 WeakPolarHBondContact CD-OE1 3.23Å; R300-E304 HydrophobicContact CG-CG 4.02Å; R300-E304 WeakPolarHBondContact CG-OE1 3.25Å; R300-E304 WeakPolarHBondContact CG-OE2 3.46Å; R300-E304 WeakPolarHBondContact O-CB 3.36Å; R300-E304 WeakPolarHBondContact O-CG 3.32Å; R300-E304 PolarHBondContact O-N 3.31Å; R300-L346 HydrophobicContact CB-CD1 4.19Å; R300-L346 HydrophobicContact CG-CD1 3.81Å; R300-M350 PolarHBondContact NH2-SD 3.47Å
301	P	93.1	Very high	89.5	Confident	72 Å²	72	58.2 Å²	58.2	47%	0.468	31%	0.305	S	S	.	.	H	α-helix	trans	-57.7	-42.2	-179.5	-24.4	34.6	0	0	0	112.5	E305	P301-E305 WeakPolarHBondContact O-CB 3.34Å; P301-E305 PolarHBondContact O-N 2.94Å
302	S	92.5	Very high	90.3	Very high	43 Å²	43	61.4 Å²	61.4	30%	0.301	33%	0.328	S	S	.	.	H	α-helix	trans	-69	-34.4	-178.8	69.3	0	0	0	0	113.9	F299 R300 R306	F299-S302 PolarHBondContact O-N 3.03Å; F299-S302 PolarHBondContact O-OG 2.95Å; R300-S302 VanDerWaalsContact C-N 3.29Å; R300-S302 PolarHBondContact O-N 3.28Å; S302-R306 WeakPolarHBondContact O-CB 3.45Å; S302-R306 PolarHBondContact O-N 3.46Å
303	L	93.9	Very high	91.1	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.016	32%	0.32	C	S	.	.	H	α-helix	trans	-75.8	-43.4	177.9	-73.6	170.6	0	0	0	110.7	F283 K286 I287 L289 F299 R300 R306 L307 L342 L346	F283-L303 HydrophobicContact CD2-CD2 4.41Å; F283-L303 HydrophobicContact CE2-CD2 4.22Å; K286-L303 HydrophobicContact CB-CD2 3.76Å; I287-L303 HydrophobicContact CG2-CD2 4.02Å; L289-L303 HydrophobicContact CD1-CD1 4.48Å; F299-L303 HydrophobicContact CB-CD1 4.39Å; F299-L303 WeakPolarHBondContact O-CG 3.16Å; F299-L303 PolarHBondContact O-N 3.43Å; R300-L303 PolarHBondContact O-N 3.47Å; L303-R306 PolarHBondContact O-N 3.46Å; L303-L307 VanDerWaalsContact O-CB 3.28Å; L303-L307 WeakPolarHBondContact O-CB 3.4Å; L303-L307 PolarHBondContact O-N 3.36Å; L303-L342 HydrophobicContact CB-CD1 4.22Å; L303-L342 HydrophobicContact CB-CD2 4.31Å; L303-L342 HydrophobicContact CD1-CD1 4.26Å; L303-L346 HydrophobicContact CD1-CD2 4.04Å
304	E	95.5	Very high	91.8	Very high	66 Å²	66	54.5 Å²	54.5	31%	0.308	30%	0.295	S	S	.	.	H	α-helix	trans	-64.4	-43.9	176.5	-71.1	177.9	163.4	0	0	111.4	R300 R306 L307 E308 L342 Q343	R300-E304 WeakPolarHBondContact CD-OE1 3.23Å; R300-E304 HydrophobicContact CG-CG 4.02Å; R300-E304 WeakPolarHBondContact CG-OE1 3.25Å; R300-E304 WeakPolarHBondContact CG-OE2 3.46Å; R300-E304 WeakPolarHBondContact O-CB 3.36Å; R300-E304 WeakPolarHBondContact O-CG 3.32Å; R300-E304 PolarHBondContact O-N 3.31Å; E304-R306 PolarHBondContact O-N 3.29Å; E304-L307 PolarHBondContact O-N 3.47Å; E304-E308 WeakPolarHBondContact O-CG 3.39Å; E304-E308 PolarHBondContact O-N 3.1Å; E304-L342 HydrophobicContact CG-CD2 4.16Å; E304-Q343 PolarHBondContact OE1-NE2 3.4Å
305	E	94.7	Very high	92.3	Very high	149 Å²	149	55.7 Å²	55.7	70%	0.696	31%	0.308	S	S	*	.	H	α-helix	trans	-60.2	-46.7	175.6	-178.6	-179	-168.6	0	0	112	P301 L307 E308 S309	P301-E305 WeakPolarHBondContact O-CB 3.34Å; P301-E305 PolarHBondContact O-N 2.94Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 PolarHBondContact O-N 3.26Å; E305-E308 PolarHBondContact O-N 3.08Å; E305-S309 PolarHBondContact O-N 3.45Å
306	R	94.5	Very high	92.7	Very high	51 Å²	51	59.4 Å²	59.4	19%	0.192	32%	0.323	C	S	.	.	H	α-helix	trans	-63.2	-41.6	177.4	-178.5	73.3	-87.2	-161.1	1.6	111.3	E282 F283 S302 L303 E304 S309 I310	E282-R306 WeakPolarHBondContact OE2-CD 3.21Å; E282-R306 IonicContact OE2-CZ 3.07Å; E282-R306 IonicContact OE2-NH1 3.86Å; E282-R306 PolarHBondContact OE2-NH1 2.97Å; F283-R306 HydrophobicContact CB-CG 4.04Å; F283-R306 HydrophobicContact CD2-CB 4.28Å; F283-R306 HydrophobicContact CD2-CG 3.98Å; F283-R306 HydrophobicContact CG-CG 4.49Å; S302-R306 WeakPolarHBondContact O-CB 3.45Å; S302-R306 PolarHBondContact O-N 3.46Å; L303-R306 PolarHBondContact O-N 3.46Å; E304-R306 PolarHBondContact O-N 3.29Å; R306-S309 PolarHBondContact NH2-OG 3.01Å; R306-S309 WeakPolarHBondContact O-CB 3.19Å; R306-S309 PolarHBondContact O-N 3.06Å; R306-I310 HydrophobicContact CG-CD1 4.35Å; R306-I310 WeakPolarHBondContact O-CG1 3.05Å; R306-I310 PolarHBondContact O-N 3.43Å; R306-I310 VanDerWaalsContact O-N 3.11Å
307	L	96.4	Very high	93.1	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.016	31%	0.308	C	S	.	.	H	α-helix	trans	-64.7	-46.3	177.6	177.1	57.4	0	0	0	111.5	F283 L303 E304 E305 S309 I310 I311 V338 R339 L342	F283-L307 HydrophobicContact CD2-CB 4.42Å; F283-L307 HydrophobicContact CE2-CB 3.8Å; F283-L307 HydrophobicContact CZ-CB 4.26Å; F283-L307 HydrophobicContact CZ-CD1 4.33Å; L303-L307 VanDerWaalsContact O-CB 3.28Å; L303-L307 WeakPolarHBondContact O-CB 3.4Å; L303-L307 PolarHBondContact O-N 3.36Å; E304-L307 PolarHBondContact O-N 3.47Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 PolarHBondContact O-N 3.26Å; L307-S309 VanDerWaalsContact C-N 3.27Å; L307-S309 PolarHBondContact O-N 3.3Å; L307-I310 WeakPolarHBondContact O-CB 3.33Å; L307-I310 PolarHBondContact O-N 3.13Å; L307-I310 VanDerWaalsContact O-N 3.09Å; L307-I311 HydrophobicContact CD1-CD1 3.84Å; L307-I311 HydrophobicContact CD1-CG1 4.02Å; L307-I311 HydrophobicContact CD2-CD1 4.39Å; L307-I311 HydrophobicContact CG-CD1 3.79Å; L307-I311 HydrophobicContact CG-CG1 4.36Å; L307-I311 WeakPolarHBondContact O-CG1 3.31Å; L307-I311 PolarHBondContact O-N 3.23Å; L307-V338 HydrophobicContact CD1-CB 4.4Å; L307-V338 HydrophobicContact CD1-CG1 3.34Å; L307-V338 HydrophobicContact CD2-CG1 4.23Å; L307-V338 HydrophobicContact CG-CG1 4.45Å; L307-R339 HydrophobicContact CD2-CB 4.46Å; L307-R339 HydrophobicContact CD2-CG 3.95Å; L307-L342 HydrophobicContact CB-CD2 4.3Å; L307-L342 HydrophobicContact CD2-CB 4.18Å; L307-L342 HydrophobicContact CD2-CD2 3.56Å
308	E	95.8	Very high	93.3	Very high	87 Å²	87	52.2 Å²	52.2	41%	0.407	27%	0.274	S	S	.	.	H	α-helix	trans	-66.1	-31.6	178.6	-68.7	-54.6	145.4	0	0	111.9	E304 E305 I311 S312 R339	E304-E308 WeakPolarHBondContact O-CG 3.39Å; E304-E308 PolarHBondContact O-N 3.1Å; E305-E308 PolarHBondContact O-N 3.08Å; E308-I311 PolarHBondContact O-N 3.33Å; E308-S312 WeakPolarHBondContact O-CB 3.47Å; E308-S312 PolarHBondContact O-N 2.94Å; E308-R339 IonicContact OE1-CZ 2.83Å; E308-R339 IonicContact OE1-NE 3.35Å; E308-R339 PolarHBondContact OE1-NE 3.47Å; E308-R339 IonicContact OE1-NH2 3.27Å; E308-R339 IonicContact OE2-CZ 3.68Å; E308-R339 IonicContact OE2-NE 2.69Å; E308-R339 IonicContact OE2-NH2 2.74Å; E308-R339 PolarHBondContact OE2-NH2 3.18Å
309	S	94.6	Very high	93.6	Very high	59 Å²	59	49.3 Å²	49.3	41%	0.413	27%	0.273	S	S	.	.	H	α-helix	trans	-61.5	-43.9	168.9	167.6	0	0	0	0	112.4	E305 R306 L307 S312 G313	E305-S309 PolarHBondContact O-N 3.45Å; R306-S309 PolarHBondContact NH2-OG 3.01Å; R306-S309 WeakPolarHBondContact O-CB 3.19Å; R306-S309 PolarHBondContact O-N 3.06Å; L307-S309 VanDerWaalsContact C-N 3.27Å; L307-S309 PolarHBondContact O-N 3.3Å; S309-S312 PolarHBondContact O-N 3.22Å; S309-G313 PolarHBondContact O-N 2.99Å; S309-G313 VanDerWaalsContact O-N 3.17Å
310	I	95.8	Very high	93.7	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-62.6	-45.5	175.3	-71	162	0	0	0	110.5	L276 A279 L280 F283 R306 L307 S312 G313 A314 L376	L276-I310 HydrophobicContact CD1-CB 4.35Å; L276-I310 HydrophobicContact CD1-CG1 4.37Å; L276-I310 HydrophobicContact CD1-CG2 4.09Å; A279-I310 HydrophobicContact CB-CD1 4.34Å; A279-I310 HydrophobicContact CB-CG1 3.76Å; L280-I310 HydrophobicContact CD2-CD1 4.07Å; L280-I310 HydrophobicContact CD2-CG1 4.42Å; L280-I310 HydrophobicContact CD2-CG2 3.54Å; L280-I310 HydrophobicContact CG-CD1 4.27Å; L280-I310 HydrophobicContact CG-CG1 4.38Å; L280-I310 HydrophobicContact CG-CG2 4.07Å; F283-I310 HydrophobicContact CB-CD1 3.66Å; F283-I310 HydrophobicContact CD2-CD1 4.42Å; F283-I310 HydrophobicContact CG-CD1 3.99Å; R306-I310 HydrophobicContact CG-CD1 4.35Å; R306-I310 WeakPolarHBondContact O-CG1 3.05Å; R306-I310 PolarHBondContact O-N 3.43Å; R306-I310 VanDerWaalsContact O-N 3.11Å; L307-I310 WeakPolarHBondContact O-CB 3.33Å; L307-I310 PolarHBondContact O-N 3.13Å; L307-I310 VanDerWaalsContact O-N 3.09Å; I310-S312 VanDerWaalsContact C-N 3.33Å; I310-S312 PolarHBondContact O-N 3.42Å; I310-G313 PolarHBondContact O-N 3.09Å; I310-G313 VanDerWaalsContact O-N 3.14Å; I310-A314 PolarHBondContact O-N 3.05Å; I310-L376 HydrophobicContact CG2-CD2 4.08Å
311	I	96.2	Very high	93.5	Very high	12 Å²	12	51.5 Å²	51.5	6%	0.062	30%	0.301	C	S	.	.	H	α-helix	trans	-67.1	-35.6	-178.9	-64.1	171.5	0	0	0	111.1	L307 E308 G313 A314 A315 C335 R339	L307-I311 HydrophobicContact CD1-CD1 3.84Å; L307-I311 HydrophobicContact CD1-CG1 4.02Å; L307-I311 HydrophobicContact CD2-CD1 4.39Å; L307-I311 HydrophobicContact CG-CD1 3.79Å; L307-I311 HydrophobicContact CG-CG1 4.36Å; L307-I311 WeakPolarHBondContact O-CG1 3.31Å; L307-I311 PolarHBondContact O-N 3.23Å; E308-I311 PolarHBondContact O-N 3.33Å; I311-G313 VanDerWaalsContact C-N 3.31Å; I311-G313 PolarHBondContact O-N 3.3Å; I311-A314 PolarHBondContact O-N 2.72Å; I311-A315 VanDerWaalsContact O-CB 3.32Å; I311-A315 WeakPolarHBondContact O-CB 3.42Å; I311-A315 PolarHBondContact O-N 2.9Å; I311-C335 HydrophobicContact CD1-CB 4.39Å; I311-C335 HydrophobicContact CG1-CB 4.2Å; I311-C335 HydrophobicContact CG2-CB 4.06Å; I311-R339 HydrophobicContact CD1-CG 3.6Å; I311-R339 VanDerWaalsContact CD1-CZ 3.43Å; I311-R339 VanDerWaalsContact CD1-NE 3.31Å; I311-R339 VanDerWaalsContact CG2-NH2 3.29Å
312	S	94.4	Very high	93.3	Very high	72 Å²	72	48.8 Å²	48.8	50%	0.503	28%	0.283	S	S	.	.	H	α-helix	trans	-60.6	-41.5	171.7	-172.9	0	0	0	0	111.7	E308 S309 I310 A315 L316	E308-S312 WeakPolarHBondContact O-CB 3.47Å; E308-S312 PolarHBondContact O-N 2.94Å; S309-S312 PolarHBondContact O-N 3.22Å; I310-S312 VanDerWaalsContact C-N 3.33Å; I310-S312 PolarHBondContact O-N 3.42Å; S312-A315 PolarHBondContact O-N 3.49Å; S312-L316 WeakPolarHBondContact O-CG 3.48Å; S312-L316 PolarHBondContact O-N 3.36Å
313	G	93	Very high	93.2	Very high	26 Å²	26	46.9 Å²	46.9	27%	0.268	27%	0.27	S	S	.	.	H	α-helix	trans	-64.4	-43.1	174.4	0	0	0	0	0	112.5	S309 I310 I311 A315 L316 M317	S309-G313 PolarHBondContact O-N 2.99Å; S309-G313 VanDerWaalsContact O-N 3.17Å; I310-G313 PolarHBondContact O-N 3.09Å; I310-G313 VanDerWaalsContact O-N 3.14Å; I311-G313 VanDerWaalsContact C-N 3.31Å; I311-G313 PolarHBondContact O-N 3.3Å; G313-A315 PolarHBondContact O-N 3.4Å; G313-L316 PolarHBondContact O-N 2.91Å; G313-M317 PolarHBondContact O-N 2.82Å
314	A	95.1	Very high	93	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.6	-40.2	175.2	0	0	0	0	0	112.7	I310 I311 M317 A318 I331 L380	I310-A314 PolarHBondContact O-N 3.05Å; I311-A314 PolarHBondContact O-N 2.72Å; A314-M317 PolarHBondContact O-N 2.95Å; A314-A318 WeakPolarHBondContact O-CB 3.39Å; A314-A318 PolarHBondContact O-N 3.31Å; A314-I331 HydrophobicContact CB-CG2 4.15Å; A314-L380 HydrophobicContact CB-CD2 3.59Å
315	A	93.5	Very high	92.8	Very high	39 Å²	39	50.5 Å²	50.5	32%	0.322	29%	0.288	S	S	.	.	H	α-helix	trans	-64.2	-43.9	179.5	0	0	0	0	0	111.9	I311 S312 G313 M317 A318 D319	I311-A315 VanDerWaalsContact O-CB 3.32Å; I311-A315 WeakPolarHBondContact O-CB 3.42Å; I311-A315 PolarHBondContact O-N 2.9Å; S312-A315 PolarHBondContact O-N 3.49Å; G313-A315 PolarHBondContact O-N 3.4Å; A315-M317 PolarHBondContact O-N 3.35Å; A315-A318 PolarHBondContact O-N 3.27Å; A315-A318 VanDerWaalsContact O-N 3.1Å; A315-D319 WeakPolarHBondContact O-CB 3.33Å; A315-D319 PolarHBondContact O-N 2.9Å
316	L	92.4	Very high	92.7	Very high	132 Å²	132	46.5 Å²	46.5	69%	0.691	27%	0.272	S	S	*	.	H	α-helix	trans	-57.9	-37.9	175.7	-70.7	174.4	0	0	0	112.3	S312 G313	S312-L316 WeakPolarHBondContact O-CG 3.48Å; S312-L316 PolarHBondContact O-N 3.36Å; G313-L316 PolarHBondContact O-N 2.91Å
317	M	92.1	Very high	92.6	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.03	26%	0.263	C	S	.	.	H	α-helix	trans	-74.6	-37.7	176.6	-165.8	167.3	58	0	0	112	G313 A314 A315 S320 T323 L380 A383 V384 L434	G313-M317 PolarHBondContact O-N 2.82Å; A314-M317 PolarHBondContact O-N 2.95Å; A315-M317 PolarHBondContact O-N 3.35Å; M317-S320 WeakPolarHBondContact O-CB 3.43Å; M317-S320 PolarHBondContact O-N 3.44Å; M317-T323 PolarHBondContact O-OG1 3.05Å; M317-L380 VanDerWaalsContact CE-CA 3.4Å; M317-L380 HydrophobicContact CE-CB 3.54Å; M317-L380 HydrophobicContact CE-CD2 3.21Å; M317-L380 HydrophobicContact CE-CG 3.91Å; M317-L380 VanDerWaalsContact CE-O 3.27Å; M317-L380 WeakPolarHBondContact CE-O 3.16Å; M317-A383 HydrophobicContact CE-CB 3.82Å; M317-A383 HydrophobicContact CG-CB 4.12Å; M317-A383 HydrophobicContact SD-CB 4.07Å; M317-V384 HydrophobicContact CE-CG2 4.34Å; M317-V384 HydrophobicContact SD-CG2 3.38Å; M317-V384 WeakPolarHBondContact SD-CG2 3.4Å; M317-L434 HydrophobicContact CG-CD1 4.19Å; M317-L434 HydrophobicContact CG-CD2 4.05Å; M317-L434 HydrophobicContact SD-CD1 3.77Å; M317-L434 HydrophobicContact SD-CD2 3.89Å; M317-L434 HydrophobicContact SD-CG 4Å
318	A	91.7	Very high	92.4	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-65.8	-36	177.2	0	0	0	0	0	112.8	A314 A315 S320 R328 I331	A314-A318 WeakPolarHBondContact O-CB 3.39Å; A314-A318 PolarHBondContact O-N 3.31Å; A315-A318 PolarHBondContact O-N 3.27Å; A315-A318 VanDerWaalsContact O-N 3.1Å; A318-S320 VanDerWaalsContact C-N 3.29Å; A318-S320 PolarHBondContact O-N 3.42Å; A318-R328 HydrophobicContact CB-CG 4.02Å; A318-R328 WeakPolarHBondContact O-CD 3.24Å; A318-R328 WeakPolarHBondContact O-CG 3.5Å; A318-R328 PolarHBondContact O-NE 2.66Å; A318-I331 HydrophobicContact CB-CB 4.33Å; A318-I331 HydrophobicContact CB-CD1 4.1Å; A318-I331 HydrophobicContact CB-CG2 4.06Å
319	D	91	Very high	92.4	Very high	124 Å²	124	50.5 Å²	50.5	66%	0.663	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-8	179.9	-71.6	-18.5	0	0	0	113.6	A315	A315-D319 WeakPolarHBondContact O-CB 3.33Å; A315-D319 PolarHBondContact O-N 2.9Å
320	S	90	Very high	92.4	Very high	21 Å²	21	52.1 Å²	52.1	15%	0.147	29%	0.286	C	S	.	.	S	Bend	trans	-68.7	143.8	178.1	-170.3	0	0	0	0	112.1	M317 A318 C322 T323 H387	M317-S320 WeakPolarHBondContact O-CB 3.43Å; M317-S320 PolarHBondContact O-N 3.44Å; A318-S320 VanDerWaalsContact C-N 3.29Å; A318-S320 PolarHBondContact O-N 3.42Å; S320-C322 PolarHBondContact O-N 3.1Å; S320-T323 PolarHBondContact O-N 3.24Å; S320-H387 WeakPolarHBondContact CB-CE1 3.26Å; S320-H387 PolarHBondContact OG-CE1 2.93Å
321	S	87.2	Confident	92.4	Very high	115 Å²	115	52.1 Å²	52.1	80%	0.804	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.8	-179.8	56.2	0	0	0	0	114.4
322	C	88.8	Confident	92.4	Very high	15 Å²	15	55.2 Å²	55.2	10%	0.101	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-19.5	175.7	-64.6	0	0	0	0	112.6	S320 R324 D386 H387 K427	S320-C322 PolarHBondContact O-N 3.1Å; C322-R324 PolarHBondContact O-NH1 3.14Å; C322-D386 WeakPolarHBondContact O-CB 3.4Å; C322-H387 HydrophobicContact CB-CB 4.16Å; C322-H387 VanDerWaalsContact CB-CD2 3.4Å; C322-H387 WeakPolarHBondContact CB-CD2 3.47Å; C322-K427 VanDerWaalsContact SG-CE 3.57Å
323	T	90.1	Very high	92.5	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.012	30%	0.302	C	S	.	.	S	Bend	trans	-82.1	121.2	179.7	-54.3	0	0	0	0	110	M317 S320 R327 R328 I331 A383 H387	M317-T323 PolarHBondContact O-OG1 3.05Å; S320-T323 PolarHBondContact O-N 3.24Å; T323-R327 HydrophobicContact CG2-CB 4.2Å; T323-R327 HydrophobicContact CG2-CG 4.49Å; T323-R328 PolarHBondContact O-NH2 3.06Å; T323-R328 VanDerWaalsContact O-NH2 3.12Å; T323-I331 HydrophobicContact CG2-CD1 4.34Å; T323-A383 HydrophobicContact CG2-CB 4.26Å; T323-H387 PolarHBondContact OG1-NE2 3.44Å
324	R	91.3	Very high	92.6	Very high	41 Å²	41	54.5 Å²	54.5	16%	0.155	30%	0.296	C	S	.	.			trans	-62.2	151.9	178.2	-61.1	-63	-175	-88.8	-2.2	111.9	C322 D326 R327 R328 D386 D390 E519	C322-R324 PolarHBondContact O-NH1 3.14Å; R324-D326 WeakPolarHBondContact CB-OD1 3.3Å; R324-D326 PolarHBondContact O-N 3.49Å; R324-R327 HydrophobicContact CB-CB 4.5Å; R324-R327 PolarHBondContact O-N 3.27Å; R324-R328 PolarHBondContact O-N 3.31Å; R324-D386 PolarHBondContact N-OD2 3.24Å; R324-D390 IonicContact CZ-OD2 3.74Å; R324-D390 IonicContact NH1-OD2 3.14Å; R324-D390 PolarHBondContact NH1-OD2 2.9Å; R324-D390 IonicContact NH2-OD1 3.44Å; R324-D390 PolarHBondContact NH2-OD1 3.08Å; R324-D390 IonicContact NH2-OD2 3.91Å; R324-D390 PolarHBondContact NH2-OD2 3.09Å; R324-E519 IonicContact CZ-OE2 2.93Å; R324-E519 IonicContact NE-OE1 3.13Å; R324-E519 IonicContact NE-OE2 3.99Å; R324-E519 PolarHBondContact NE-OE2 2.68Å; R324-E519 IonicContact NH2-OE2 2.67Å
325	D	91.3	Very high	92.7	Very high	105 Å²	105	54.8 Å²	54.8	56%	0.561	30%	0.298	S	S	*	.	H	α-helix	trans	-61.8	-43	-174.4	-70.8	-13.1	0	0	0	112.5	R327 R328 E329	D325-R327 VanDerWaalsContact C-N 3.31Å; D325-R327 PolarHBondContact O-N 2.97Å; D325-R328 WeakPolarHBondContact O-CB 3.36Å; D325-R328 PolarHBondContact O-N 2.86Å; D325-R328 IonicContact OD1-CZ 2.81Å; D325-R328 IonicContact OD1-NH1 2.94Å; D325-R328 PolarHBondContact OD1-NH1 2.93Å; D325-R328 IonicContact OD1-NH2 3.33Å; D325-R328 PolarHBondContact OD1-NH2 3.13Å; D325-E329 WeakPolarHBondContact O-CG 3.25Å; D325-E329 PolarHBondContact O-N 3.15Å
326	D	91.1	Very high	92.9	Very high	64 Å²	64	56.9 Å²	56.9	34%	0.342	30%	0.304	S	S	.	.	H	α-helix	trans	-64.2	-37.7	177.6	74.7	-54.7	0	0	0	111.4	R324 E329 R330	R324-D326 WeakPolarHBondContact CB-OD1 3.3Å; R324-D326 PolarHBondContact O-N 3.49Å; D326-E329 PolarHBondContact O-N 3.03Å; D326-R330 WeakPolarHBondContact O-CG 3.43Å; D326-R330 PolarHBondContact O-N 3.5Å; D326-R330 VanDerWaalsContact O-N 3.09Å; D326-R330 IonicContact OD2-CZ 3.42Å; D326-R330 IonicContact OD2-NE 3.5Å; D326-R330 IonicContact OD2-NH2 3.89Å; D326-R330 PolarHBondContact OD2-NH2 2.98Å
327	R	92.7	Very high	93.1	Very high	6 Å²	6	51.9 Å²	51.9	2%	0.023	28%	0.282	C	S	.	.	H	α-helix	trans	-69.5	-39	176.1	-161	179.9	-48.4	-63.9	-1.1	111.7	T323 R324 D325 E329 R330 I331 A383 D386	T323-R327 HydrophobicContact CG2-CB 4.2Å; T323-R327 HydrophobicContact CG2-CG 4.49Å; R324-R327 HydrophobicContact CB-CB 4.5Å; R324-R327 PolarHBondContact O-N 3.27Å; D325-R327 VanDerWaalsContact C-N 3.31Å; D325-R327 PolarHBondContact O-N 2.97Å; R327-E329 VanDerWaalsContact C-N 3.32Å; R327-E329 PolarHBondContact O-N 3.39Å; R327-R330 PolarHBondContact O-N 3.35Å; R327-I331 HydrophobicContact CG-CD1 4.42Å; R327-I331 WeakPolarHBondContact O-CG1 3.4Å; R327-I331 PolarHBondContact O-N 2.99Å; R327-A383 VanDerWaalsContact CD-CA 3.41Å; R327-D386 VanDerWaalsContact CD-OD2 3.31Å; R327-D386 WeakPolarHBondContact CD-OD2 3.28Å; R327-D386 IonicContact CZ-OD1 2.63Å; R327-D386 IonicContact CZ-OD2 3.54Å; R327-D386 IonicContact NE-OD1 2.77Å; R327-D386 PolarHBondContact NE-OD1 3.3Å; R327-D386 IonicContact NE-OD2 3.26Å; R327-D386 PolarHBondContact NE-OD2 3.4Å; R327-D386 IonicContact NH2-OD1 3.78Å; R327-D386 PolarHBondContact NH2-OD1 2.95Å; R327-D386 IonicContact NH2-OD2 2.59Å
328	R	93.6	Very high	93.3	Very high	74 Å²	74	51.6 Å²	51.6	28%	0.279	28%	0.28	S	S	.	.	H	α-helix	trans	-56.4	-47.3	173.1	-172.4	-176.4	-46.2	114.8	12.9	110.9	A318 T323 R324 D325 R330 I331 V332	A318-R328 HydrophobicContact CB-CG 4.02Å; A318-R328 WeakPolarHBondContact O-CD 3.24Å; A318-R328 WeakPolarHBondContact O-CG 3.5Å; A318-R328 PolarHBondContact O-NE 2.66Å; T323-R328 PolarHBondContact O-NH2 3.06Å; T323-R328 VanDerWaalsContact O-NH2 3.12Å; R324-R328 PolarHBondContact O-N 3.31Å; D325-R328 WeakPolarHBondContact O-CB 3.36Å; D325-R328 PolarHBondContact O-N 2.86Å; D325-R328 IonicContact OD1-CZ 2.81Å; D325-R328 IonicContact OD1-NH1 2.94Å; D325-R328 PolarHBondContact OD1-NH1 2.93Å; D325-R328 IonicContact OD1-NH2 3.33Å; D325-R328 PolarHBondContact OD1-NH2 3.13Å; R328-R330 PolarHBondContact O-N 2.89Å; R328-I331 PolarHBondContact O-N 3.07Å; R328-V332 WeakPolarHBondContact O-CG2 3.38Å; R328-V332 PolarHBondContact O-N 3.48Å
329	E	94.7	Very high	93.6	Very high	145 Å²	145	55.1 Å²	55.1	68%	0.678	29%	0.294	S	S	*	.	H	α-helix	trans	-60.9	-42.8	176.7	-70.2	-179.5	-179.3	0	0	112.3	D325 D326 R327 V332 A333	D325-E329 WeakPolarHBondContact O-CG 3.25Å; D325-E329 PolarHBondContact O-N 3.15Å; D326-E329 PolarHBondContact O-N 3.03Å; R327-E329 VanDerWaalsContact C-N 3.32Å; R327-E329 PolarHBondContact O-N 3.39Å; E329-V332 PolarHBondContact O-N 2.69Å; E329-A333 WeakPolarHBondContact O-CB 3.5Å; E329-A333 PolarHBondContact O-N 3.33Å
330	R	94.7	Very high	93.9	Very high	94 Å²	94	54.4 Å²	54.4	36%	0.355	29%	0.286	S	S	.	.	H	α-helix	trans	-63.1	-42.2	176	-68.6	-179.9	-146	-169	11.5	112.7	D326 R327 R328 A333 E334 Q379 D641	D326-R330 WeakPolarHBondContact O-CG 3.43Å; D326-R330 PolarHBondContact O-N 3.5Å; D326-R330 VanDerWaalsContact O-N 3.09Å; D326-R330 IonicContact OD2-CZ 3.42Å; D326-R330 IonicContact OD2-NE 3.5Å; D326-R330 IonicContact OD2-NH2 3.89Å; D326-R330 PolarHBondContact OD2-NH2 2.98Å; R327-R330 PolarHBondContact O-N 3.35Å; R328-R330 PolarHBondContact O-N 2.89Å; R330-A333 PolarHBondContact O-N 3.38Å; R330-E334 PolarHBondContact O-N 3.48Å; R330-Q379 HydrophobicContact CB-CG 4.32Å; R330-D641 IonicContact NH1-OD2 3.66Å
331	I	95.4	Very high	94.2	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-46.7	176.2	-67.1	165	0	0	0	110.2	A314 A318 T323 R327 R328 A333 E334 C335 L376 Q379 L380 A383	A314-I331 HydrophobicContact CB-CG2 4.15Å; A318-I331 HydrophobicContact CB-CB 4.33Å; A318-I331 HydrophobicContact CB-CD1 4.1Å; A318-I331 HydrophobicContact CB-CG2 4.06Å; T323-I331 HydrophobicContact CG2-CD1 4.34Å; R327-I331 HydrophobicContact CG-CD1 4.42Å; R327-I331 WeakPolarHBondContact O-CG1 3.4Å; R327-I331 PolarHBondContact O-N 2.99Å; R328-I331 PolarHBondContact O-N 3.07Å; I331-A333 VanDerWaalsContact C-N 3.31Å; I331-A333 PolarHBondContact O-N 2.74Å; I331-E334 PolarHBondContact O-N 3.25Å; I331-C335 WeakPolarHBondContact O-CB 3.48Å; I331-C335 PolarHBondContact O-N 2.88Å; I331-C335 PolarHBondContact O-SG 3.46Å; I331-L376 HydrophobicContact CG2-CD1 4.48Å; I331-Q379 HydrophobicContact CG1-CB 3.88Å; I331-L380 HydrophobicContact CG2-CD2 4.29Å; I331-A383 HydrophobicContact CD1-CB 3.86Å
332	V	95.7	Very high	94.6	Very high	76 Å²	76	48 Å²	48	46%	0.461	24%	0.242	S	C	.	.	H	α-helix	trans	-60.9	-42.5	177.9	172.1	0	0	0	0	110.9	R328 E329 C335 N336	R328-V332 WeakPolarHBondContact O-CG2 3.38Å; R328-V332 PolarHBondContact O-N 3.48Å; E329-V332 PolarHBondContact O-N 2.69Å; V332-C335 PolarHBondContact O-N 2.68Å; V332-N336 PolarHBondContact O-N 2.97Å; V332-N336 VanDerWaalsContact O-N 3.07Å; V332-N336 PolarHBondContact O-ND2 2.88Å
333	A	96.3	Very high	95	Very high	54 Å²	54	50.6 Å²	50.6	45%	0.446	25%	0.252	S	S	.	.	H	α-helix	trans	-61.8	-45.7	176.2	0	0	0	0	0	112.1	E329 R330 I331 N336 A337	E329-A333 WeakPolarHBondContact O-CB 3.5Å; E329-A333 PolarHBondContact O-N 3.33Å; R330-A333 PolarHBondContact O-N 3.38Å; I331-A333 VanDerWaalsContact C-N 3.31Å; I331-A333 PolarHBondContact O-N 2.74Å; A333-N336 PolarHBondContact O-N 3.45Å; A333-A337 WeakPolarHBondContact O-CB 3.39Å; A333-A337 PolarHBondContact O-N 3.37Å
334	E	96.5	Very high	95.2	Very high	30 Å²	30	52.8 Å²	52.8	14%	0.14	26%	0.264	C	S	.	.	H	α-helix	trans	-69.3	-37.4	177.9	-69.4	-58.8	166.1	0	0	112.5	R330 I331 N336 A337 V338 K372 D375 L376 Q379	R330-E334 PolarHBondContact O-N 3.48Å; I331-E334 PolarHBondContact O-N 3.25Å; E334-N336 VanDerWaalsContact C-N 3.29Å; E334-N336 PolarHBondContact O-N 3.47Å; E334-A337 WeakPolarHBondContact O-CB 3.27Å; E334-A337 PolarHBondContact O-N 2.99Å; E334-A337 VanDerWaalsContact O-N 3.11Å; E334-V338 WeakPolarHBondContact O-CB 3.45Å; E334-V338 VanDerWaalsContact O-CG2 3.24Å; E334-V338 WeakPolarHBondContact O-CG2 3.46Å; E334-V338 PolarHBondContact O-N 3.49Å; E334-K372 IonicContact OE1-NZ 3.26Å; E334-K372 PolarHBondContact OE1-NZ 3.13Å; E334-K372 IonicContact OE2-NZ 2.74Å; E334-K372 PolarHBondContact OE2-NZ 2.98Å; E334-D375 HydrophobicContact CG-CB 4.27Å; E334-L376 HydrophobicContact CB-CB 4.28Å; E334-L376 HydrophobicContact CB-CD1 4.2Å; E334-Q379 HydrophobicContact CG-CG 4.12Å
335	C	97.2	Very high	95.3	Very high	6 Å²	6	50.9 Å²	50.9	4%	0.041	26%	0.257	C	S	.	.	H	α-helix	trans	-56.3	-44.7	171.4	-75.8	0	0	0	0	111.6	I311 I331 V332 V338 R339	I311-C335 HydrophobicContact CD1-CB 4.39Å; I311-C335 HydrophobicContact CG1-CB 4.2Å; I311-C335 HydrophobicContact CG2-CB 4.06Å; I331-C335 WeakPolarHBondContact O-CB 3.48Å; I331-C335 PolarHBondContact O-N 2.88Å; I331-C335 PolarHBondContact O-SG 3.46Å; V332-C335 PolarHBondContact O-N 2.68Å; C335-V338 PolarHBondContact O-N 3.1Å; C335-R339 WeakPolarHBondContact O-CG 3.44Å; C335-R339 PolarHBondContact O-N 3.06Å; C335-R339 VanDerWaalsContact O-N 3.09Å
336	N	96.7	Very high	95.3	Very high	82 Å²	82	46 Å²	46	44%	0.439	23%	0.23	S	C	.	.	H	α-helix	trans	-68.2	-36.7	175.5	-70.7	-32.5	0	0	0	112.4	V332 A333 E334 R339 Q340	V332-N336 PolarHBondContact O-N 2.97Å; V332-N336 VanDerWaalsContact O-N 3.07Å; V332-N336 PolarHBondContact O-ND2 2.88Å; A333-N336 PolarHBondContact O-N 3.45Å; E334-N336 VanDerWaalsContact C-N 3.29Å; E334-N336 PolarHBondContact O-N 3.47Å; N336-R339 PolarHBondContact O-N 3.41Å; N336-R339 PolarHBondContact OD1-NH1 3Å; N336-Q340 PolarHBondContact O-N 3.4Å
337	A	97.1	Very high	95.3	Very high	27 Å²	27	45.6 Å²	45.6	22%	0.223	23%	0.233	C	C	.	.	H	α-helix	trans	-65	-39.8	176	0	0	0	0	0	112.3	A333 E334 Q340 A341 K372	A333-A337 WeakPolarHBondContact O-CB 3.39Å; A333-A337 PolarHBondContact O-N 3.37Å; E334-A337 WeakPolarHBondContact O-CB 3.27Å; E334-A337 PolarHBondContact O-N 2.99Å; E334-A337 VanDerWaalsContact O-N 3.11Å; A337-Q340 PolarHBondContact O-N 2.79Å; A337-A341 VanDerWaalsContact O-CB 3.29Å; A337-A341 WeakPolarHBondContact O-CB 3.35Å; A337-A341 PolarHBondContact O-N 2.94Å; A337-K372 HydrophobicContact CB-CD 4.05Å; A337-K372 HydrophobicContact CB-CG 4.35Å
338	V	97.2	Very high	95.2	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-65.3	-43.1	175	175.3	0	0	0	0	110.6	L307 E334 C335 Q340 A341 L342 M369 K372 L376	L307-V338 HydrophobicContact CD1-CB 4.4Å; L307-V338 HydrophobicContact CD1-CG1 3.34Å; L307-V338 HydrophobicContact CD2-CG1 4.23Å; L307-V338 HydrophobicContact CG-CG1 4.45Å; E334-V338 WeakPolarHBondContact O-CB 3.45Å; E334-V338 VanDerWaalsContact O-CG2 3.24Å; E334-V338 WeakPolarHBondContact O-CG2 3.46Å; E334-V338 PolarHBondContact O-N 3.49Å; C335-V338 PolarHBondContact O-N 3.1Å; V338-Q340 PolarHBondContact O-N 3.13Å; V338-A341 PolarHBondContact O-N 3.24Å; V338-L342 PolarHBondContact O-N 2.72Å; V338-M369 HydrophobicContact CB-CE 4.27Å; V338-M369 HydrophobicContact CG1-CE 3.42Å; V338-M369 VanDerWaalsContact CG1-CE 3.42Å; V338-K372 HydrophobicContact CG2-CB 3.91Å; V338-K372 WeakPolarHBondContact CG2-O 3.49Å; V338-L376 HydrophobicContact CG2-CB 4.05Å; V338-L376 HydrophobicContact CG2-CD2 4.12Å
339	R	96.8	Very high	95	Very high	75 Å²	75	44.3 Å²	44.3	28%	0.283	23%	0.23	S	C	.	.	H	α-helix	trans	-57.3	-49.3	172.2	-73.8	-177.3	-176.4	117.7	-1.7	112	L307 E308 I311 C335 N336 L342 Q343	L307-R339 HydrophobicContact CD2-CB 4.46Å; L307-R339 HydrophobicContact CD2-CG 3.95Å; E308-R339 IonicContact OE1-CZ 2.83Å; E308-R339 IonicContact OE1-NE 3.35Å; E308-R339 PolarHBondContact OE1-NE 3.47Å; E308-R339 IonicContact OE1-NH2 3.27Å; E308-R339 IonicContact OE2-CZ 3.68Å; E308-R339 IonicContact OE2-NE 2.69Å; E308-R339 IonicContact OE2-NH2 2.74Å; E308-R339 PolarHBondContact OE2-NH2 3.18Å; I311-R339 HydrophobicContact CD1-CG 3.6Å; I311-R339 VanDerWaalsContact CD1-CZ 3.43Å; I311-R339 VanDerWaalsContact CD1-NE 3.31Å; I311-R339 VanDerWaalsContact CG2-NH2 3.29Å; C335-R339 WeakPolarHBondContact O-CG 3.44Å; C335-R339 PolarHBondContact O-N 3.06Å; C335-R339 VanDerWaalsContact O-N 3.09Å; N336-R339 PolarHBondContact O-N 3.41Å; N336-R339 PolarHBondContact OD1-NH1 3Å; R339-L342 PolarHBondContact O-N 3.46Å; R339-Q343 WeakPolarHBondContact O-CG 3.42Å; R339-Q343 PolarHBondContact O-N 2.96Å; R339-Q343 VanDerWaalsContact O-N 3.11Å
340	Q	97.2	Very high	94.6	Very high	108 Å²	108	40.9 Å²	40.9	51%	0.505	22%	0.215	S	C	.	.	H	α-helix	trans	-63.9	-42.9	179.7	-174.9	60.2	54.4	0	0	111.5	N336 A337 V338 L342 Q343 D344	N336-Q340 PolarHBondContact O-N 3.4Å; A337-Q340 PolarHBondContact O-N 2.79Å; V338-Q340 PolarHBondContact O-N 3.13Å; Q340-L342 VanDerWaalsContact C-N 3.27Å; Q340-L342 PolarHBondContact O-N 3.23Å; Q340-Q343 PolarHBondContact O-N 3.25Å; Q340-Q343 VanDerWaalsContact O-N 3.15Å; Q340-D344 PolarHBondContact NE2-OD1 2.92Å; Q340-D344 VanDerWaalsContact O-CG 3.25Å; Q340-D344 PolarHBondContact O-N 3.39Å
341	A	96.4	Very high	94.2	Very high	2 Å²	2	41.2 Å²	41.2	2%	0.017	22%	0.224	C	C	.	.	H	α-helix	trans	-61.1	-36.5	177	0	0	0	0	0	112.1	A337 V338 D344 L345 M369 K372	A337-A341 VanDerWaalsContact O-CB 3.29Å; A337-A341 WeakPolarHBondContact O-CB 3.35Å; A337-A341 PolarHBondContact O-N 2.94Å; V338-A341 PolarHBondContact O-N 3.24Å; A341-D344 PolarHBondContact O-N 3.18Å; A341-L345 VanDerWaalsContact O-CB 3.26Å; A341-L345 WeakPolarHBondContact O-CB 3.45Å; A341-L345 PolarHBondContact O-N 2.98Å; A341-M369 VanDerWaalsContact C-SD 3.6Å; A341-M369 HydrophobicContact CB-CE 4.25Å; A341-M369 HydrophobicContact CB-SD 3.86Å; A341-K372 HydrophobicContact CB-CB 4.26Å; A341-K372 HydrophobicContact CB-CG 4.2Å
342	L	96.2	Very high	93.5	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-65.1	-43.4	174.1	178.8	61.4	0	0	0	111.5	F283 L303 E304 L307 V338 R339 Q340 L345 L346 M369	F283-L342 HydrophobicContact CE2-CD2 4.36Å; F283-L342 HydrophobicContact CZ-CD1 4.22Å; F283-L342 HydrophobicContact CZ-CD2 4.29Å; L303-L342 HydrophobicContact CB-CD1 4.22Å; L303-L342 HydrophobicContact CB-CD2 4.31Å; L303-L342 HydrophobicContact CD1-CD1 4.26Å; E304-L342 HydrophobicContact CG-CD2 4.16Å; L307-L342 HydrophobicContact CB-CD2 4.3Å; L307-L342 HydrophobicContact CD2-CB 4.18Å; L307-L342 HydrophobicContact CD2-CD2 3.56Å; V338-L342 PolarHBondContact O-N 2.72Å; R339-L342 PolarHBondContact O-N 3.46Å; Q340-L342 VanDerWaalsContact C-N 3.27Å; Q340-L342 PolarHBondContact O-N 3.23Å; L342-L345 PolarHBondContact O-N 3.28Å; L342-L346 HydrophobicContact CD1-CD1 4.18Å; L342-L346 HydrophobicContact CD1-CG 4.12Å; L342-L346 HydrophobicContact CG-CD1 4.05Å; L342-L346 HydrophobicContact CG-CG 4.42Å; L342-L346 WeakPolarHBondContact O-CB 3.46Å; L342-L346 VanDerWaalsContact O-CG 3.26Å; L342-L346 WeakPolarHBondContact O-CG 3.39Å; L342-L346 PolarHBondContact O-N 3.48Å; L342-M369 VanDerWaalsContact CA-SD 3.57Å; L342-M369 HydrophobicContact CB-SD 3.92Å; L342-M369 PolarHBondContact N-SD 3.33Å; L342-M369 VanDerWaalsContact N-SD 3.36Å
343	Q	95.8	Very high	92.5	Very high	68 Å²	68	41.6 Å²	41.6	32%	0.318	23%	0.226	S	C	.	.	H	α-helix	trans	-65.6	-39.6	178.2	-62.2	-54.3	-35.8	0	0	112.3	E304 R339 Q340 S347	E304-Q343 PolarHBondContact OE1-NE2 3.4Å; R339-Q343 WeakPolarHBondContact O-CG 3.42Å; R339-Q343 PolarHBondContact O-N 2.96Å; R339-Q343 VanDerWaalsContact O-N 3.11Å; Q340-Q343 PolarHBondContact O-N 3.25Å; Q340-Q343 VanDerWaalsContact O-N 3.15Å; Q343-S347 WeakPolarHBondContact O-CB 3.31Å; Q343-S347 PolarHBondContact O-N 2.98Å; Q343-S347 VanDerWaalsContact O-N 3.08Å; Q343-S347 PolarHBondContact O-OG 3.5Å
344	D	94.8	Very high	91.3	Very high	49 Å²	49	41.5 Å²	41.5	26%	0.262	23%	0.231	S	C	.	.	H	α-helix	trans	-61.5	-46.6	173.1	-64.1	-11.3	0	0	0	110.4	Q340 A341 S347 E348 K368	Q340-D344 PolarHBondContact NE2-OD1 2.92Å; Q340-D344 VanDerWaalsContact O-CG 3.25Å; Q340-D344 PolarHBondContact O-N 3.39Å; A341-D344 PolarHBondContact O-N 3.18Å; D344-S347 WeakPolarHBondContact O-CB 3.27Å; D344-S347 PolarHBondContact O-N 3.31Å; D344-E348 PolarHBondContact O-N 2.87Å; D344-K368 IonicContact OD2-NZ 3.25Å; D344-K368 PolarHBondContact OD2-NZ 2.83Å
345	L	94	Very high	90.1	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-45.3	179.4	177.7	62.1	0	0	0	112.4	I287 A341 L342 S347 E348 Y349 L362 A365 I366 M369	I287-L345 HydrophobicContact CB-CD2 3.88Å; I287-L345 HydrophobicContact CG2-CD2 4.14Å; A341-L345 VanDerWaalsContact O-CB 3.26Å; A341-L345 WeakPolarHBondContact O-CB 3.45Å; A341-L345 PolarHBondContact O-N 2.98Å; L342-L345 PolarHBondContact O-N 3.28Å; L345-S347 VanDerWaalsContact C-N 3.28Å; L345-S347 PolarHBondContact O-N 3.36Å; L345-E348 PolarHBondContact O-N 2.86Å; L345-Y349 HydrophobicContact CD1-CD2 3.85Å; L345-Y349 HydrophobicContact CD1-CE2 3.59Å; L345-Y349 HydrophobicContact CD2-CE2 4.24Å; L345-Y349 HydrophobicContact CG-CD2 3.88Å; L345-Y349 HydrophobicContact CG-CE2 3.82Å; L345-Y349 WeakPolarHBondContact O-CD2 3.48Å; L345-Y349 PolarHBondContact O-N 3.18Å; L345-L362 HydrophobicContact CD1-CD1 3.98Å; L345-A365 HydrophobicContact CD1-CB 3.97Å; L345-I366 HydrophobicContact CD1-CB 4.44Å; L345-I366 HydrophobicContact CD1-CG1 3.56Å; L345-M369 HydrophobicContact CD2-CB 4.02Å; L345-M369 HydrophobicContact CD2-CG 3.84Å; L345-M369 HydrophobicContact CD2-SD 4.46Å
346	L	91.8	Very high	88.6	Confident	1 Å²	1	56 Å²	56	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-62.2	-38.6	177.2	-70.1	172.4	0	0	0	111.4	F294 R300 L303 L342 Y349 M350	F294-L346 HydrophobicContact CE2-CD2 4.05Å; F294-L346 HydrophobicContact CZ-CD2 4.01Å; R300-L346 HydrophobicContact CB-CD1 4.19Å; R300-L346 HydrophobicContact CG-CD1 3.81Å; L303-L346 HydrophobicContact CD1-CD2 4.04Å; L342-L346 HydrophobicContact CD1-CD1 4.18Å; L342-L346 HydrophobicContact CD1-CG 4.12Å; L342-L346 HydrophobicContact CG-CD1 4.05Å; L342-L346 HydrophobicContact CG-CG 4.42Å; L342-L346 WeakPolarHBondContact O-CB 3.46Å; L342-L346 VanDerWaalsContact O-CG 3.26Å; L342-L346 WeakPolarHBondContact O-CG 3.39Å; L342-L346 PolarHBondContact O-N 3.48Å; L346-Y349 PolarHBondContact O-N 3.47Å; L346-M350 VanDerWaalsContact O-CG 3.3Å; L346-M350 WeakPolarHBondContact O-CG 3.47Å; L346-M350 PolarHBondContact O-N 3.37Å
347	S	91.2	Very high	87.2	Confident	56 Å²	56	60.1 Å²	60.1	39%	0.392	31%	0.305	S	S	.	.	H	α-helix	trans	-63.2	-42.2	175.5	-58.4	0	0	0	0	111.8	Q343 D344 L345 M350 N351	Q343-S347 WeakPolarHBondContact O-CB 3.31Å; Q343-S347 PolarHBondContact O-N 2.98Å; Q343-S347 VanDerWaalsContact O-N 3.08Å; Q343-S347 PolarHBondContact O-OG 3.5Å; D344-S347 WeakPolarHBondContact O-CB 3.27Å; D344-S347 PolarHBondContact O-N 3.31Å; L345-S347 VanDerWaalsContact C-N 3.28Å; L345-S347 PolarHBondContact O-N 3.36Å; S347-M350 WeakPolarHBondContact O-CB 3.43Å; S347-M350 PolarHBondContact O-N 3.43Å; S347-N351 VanDerWaalsContact O-CG 3.29Å; S347-N351 PolarHBondContact O-N 3.44Å; S347-N351 PolarHBondContact O-ND2 3.03Å
348	E	90.3	Very high	85.8	Confident	52 Å²	52	62.6 Å²	62.6	24%	0.243	31%	0.311	C	S	.	.	H	α-helix	trans	-68.1	-35.4	176.3	-73.1	-54.8	140.3	0	0	113.1	D344 L345 N351 N352 P361 L362 A365	D344-E348 PolarHBondContact O-N 2.87Å; L345-E348 PolarHBondContact O-N 2.86Å; E348-N351 PolarHBondContact O-N 3.32Å; E348-N352 WeakPolarHBondContact O-CB 3.41Å; E348-N352 PolarHBondContact O-N 2.97Å; E348-N352 PolarHBondContact O-ND2 3.33Å; E348-P361 WeakPolarHBondContact OE2-CB 3.46Å; E348-L362 HydrophobicContact CB-CB 4.45Å; E348-L362 HydrophobicContact CB-CD1 3.87Å; E348-A365 HydrophobicContact CB-CB 4.13Å; E348-A365 HydrophobicContact CG-CB 3.86Å
349	Y	89.2	Confident	84.7	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.008	32%	0.321	C	S	.	.	H	α-helix	trans	-62.6	-43.6	171.7	-91.4	-63.2	0	0	0	111.7	I287 L289 P291 F294 L345 L346 N351 N352 T353 L362	I287-Y349 PolarHBondContact O-OH 2.86Å; I287-Y349 VanDerWaalsContact O-OH 3.04Å; L289-Y349 HydrophobicContact CB-CE1 3.87Å; L289-Y349 HydrophobicContact CB-CE2 4.42Å; L289-Y349 PolarHBondContact N-OH 2.92Å; L289-Y349 WeakPolarHBondContact O-CE1 3.27Å; L289-Y349 PolarHBondContact O-OH 3.45Å; P291-Y349 HydrophobicContact CG-CE1 4.22Å; F294-Y349 HydrophobicContact CB-CD1 4.38Å; F294-Y349 HydrophobicContact CD2-CD1 4.12Å; F294-Y349 AromaticContact CD2-CG 3.94Å; F294-Y349 HydrophobicContact CD2-CG 3.94Å; F294-Y349 HydrophobicContact CE2-CD2 4.41Å; F294-Y349 HydrophobicContact CE2-CG 4.07Å; F294-Y349 HydrophobicContact CG-CD1 4.21Å; F294-Y349 HydrophobicContact CG-CG 4.26Å; L345-Y349 HydrophobicContact CD1-CD2 3.85Å; L345-Y349 HydrophobicContact CD1-CE2 3.59Å; L345-Y349 HydrophobicContact CD2-CE2 4.24Å; L345-Y349 HydrophobicContact CG-CD2 3.88Å; L345-Y349 HydrophobicContact CG-CE2 3.82Å; L345-Y349 WeakPolarHBondContact O-CD2 3.48Å; L345-Y349 PolarHBondContact O-N 3.18Å; L346-Y349 PolarHBondContact O-N 3.47Å; Y349-N351 VanDerWaalsContact C-N 3.34Å; Y349-N351 PolarHBondContact O-N 3.28Å; Y349-N352 CarbonylContact O-C 3.23Å; Y349-N352 PolarHBondContact O-N 2.97Å; Y349-N352 VanDerWaalsContact O-N 3.17Å; Y349-T353 PolarHBondContact O-N 2.7Å; Y349-T353 VanDerWaalsContact O-N 3.08Å; Y349-T353 PolarHBondContact O-OG1 3.24Å; Y349-L362 HydrophobicContact CD1-CD1 4Å; Y349-L362 HydrophobicContact CD1-CD2 4.11Å; Y349-L362 HydrophobicContact CD2-CD1 3.98Å; Y349-L362 HydrophobicContact CE1-CD1 4.05Å; Y349-L362 HydrophobicContact CE1-CD2 3.94Å; Y349-L362 HydrophobicContact CE2-CD1 4.03Å; Y349-L362 HydrophobicContact CG-CD1 3.95Å
350	M	86.7	Confident	84.1	Confident	73 Å²	73	66 Å²	66	36%	0.36	34%	0.339	S	S	.	.	H	α-helix	trans	-59.7	-44.6	174.9	-69.4	172.6	68.7	0	0	111.6	F294 E296 R300 L346 S347 N352 T353	F294-M350 HydrophobicContact CE1-CG 3.85Å; E296-M350 HydrophobicContact CG-SD 4.23Å; E296-M350 VanDerWaalsContact OE1-SD 3.42Å; E296-M350 WeakPolarHBondContact OE2-CE 3.44Å; R300-M350 PolarHBondContact NH2-SD 3.47Å; L346-M350 VanDerWaalsContact O-CG 3.3Å; L346-M350 WeakPolarHBondContact O-CG 3.47Å; L346-M350 PolarHBondContact O-N 3.37Å; S347-M350 WeakPolarHBondContact O-CB 3.43Å; S347-M350 PolarHBondContact O-N 3.43Å; M350-N352 PolarHBondContact O-N 3.37Å; M350-T353 WeakPolarHBondContact CA-OG1 3.47Å; M350-T353 WeakPolarHBondContact O-CB 3.37Å; M350-T353 PolarHBondContact O-N 2.84Å; M350-T353 PolarHBondContact O-OG1 3.22Å
351	N	84.9	Confident	83.5	Confident	101 Å²	101	64.2 Å²	64.2	54%	0.54	34%	0.337	S	S	.	.	H	α-helix	trans	-65.1	-24	177.8	-70.3	-23.8	0	0	0	113.8	S347 E348 Y349	S347-N351 VanDerWaalsContact O-CG 3.29Å; S347-N351 PolarHBondContact O-N 3.44Å; S347-N351 PolarHBondContact O-ND2 3.03Å; E348-N351 PolarHBondContact O-N 3.32Å; Y349-N351 VanDerWaalsContact C-N 3.34Å; Y349-N351 PolarHBondContact O-N 3.28Å
352	N	81.8	Confident	83.1	Confident	6 Å²	6	64.1 Å²	64.1	3%	0.032	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	2.6	178.2	-77.3	-81.9	0	0	0	114.2	P291 E348 Y349 M350 G354 R355 G359 L362	P291-N352 HydrophobicContact CB-CB 4.46Å; E348-N352 WeakPolarHBondContact O-CB 3.41Å; E348-N352 PolarHBondContact O-N 2.97Å; E348-N352 PolarHBondContact O-ND2 3.33Å; Y349-N352 CarbonylContact O-C 3.23Å; Y349-N352 PolarHBondContact O-N 2.97Å; Y349-N352 VanDerWaalsContact O-N 3.17Å; M350-N352 PolarHBondContact O-N 3.37Å; N352-G354 PolarHBondContact O-N 3.34Å; N352-R355 WeakPolarHBondContact O-CB 3.47Å; N352-R355 PolarHBondContact O-N 3.44Å; N352-G359 PolarHBondContact OD1-N 2.93Å; N352-L362 HydrophobicContact CB-CD2 4.15Å
353	T	74.5	Confident	82.7	Confident	79 Å²	79	66.8 Å²	66.8	49%	0.485	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	124.1	-179.3	-48.7	0	0	0	0	111.1	Y349 M350	Y349-T353 PolarHBondContact O-N 2.7Å; Y349-T353 VanDerWaalsContact O-N 3.08Å; Y349-T353 PolarHBondContact O-OG1 3.24Å; M350-T353 WeakPolarHBondContact CA-OG1 3.47Å; M350-T353 WeakPolarHBondContact O-CB 3.37Å; M350-T353 PolarHBondContact O-N 2.84Å; M350-T353 PolarHBondContact O-OG1 3.22Å
354	G	70.1	Confident	82.4	Confident	52 Å²	52	69 Å²	69	54%	0.536	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	3.8	179.5	0	0	0	0	0	115.8	N352	N352-G354 PolarHBondContact O-N 3.34Å
355	R	72.1	Confident	82.2	Confident	150 Å²	150	67 Å²	67	57%	0.566	35%	0.354	S	S	*	.			trans	-90.9	138.8	173.1	-60.2	-174.5	-177.6	-174.1	1.4	110.8	N352	N352-R355 WeakPolarHBondContact O-CB 3.47Å; N352-R355 PolarHBondContact O-N 3.44Å
356	K	64.8	Low	82	Confident	191 Å²	191	67.7 Å²	67.7	83%	0.83	36%	0.358	S	S	*	.	S	Bend	trans	-72.8	-28.2	179.3	-83.1	-171.3	175.7	-177.4	0	114	M292	M292-K356 HydrophobicContact CE-CB 4.09Å; M292-K356 HydrophobicContact CE-CD 4.48Å; M292-K356 HydrophobicContact CE-CG 3.25Å
357	E	67.2	Low	81.9	Confident	167 Å²	167	72.8 Å²	72.8	78%	0.78	39%	0.385	S	S	*	.	S	Bend	trans	-115.9	136.5	-177.1	-66.4	-178.2	170.2	0	0	109.5	G359	E357-G359 PolarHBondContact O-N 2.89Å
358	K	67.9	Low	82	Confident	80 Å²	80	74.7 Å²	74.7	35%	0.348	39%	0.386	S	S	.	.			trans	-63.7	115.2	172	-63.2	-176.9	179.8	-174.8	0	107.8	P291 L362 N363 I366	P291-K358 HydrophobicContact CG-CG 3.91Å; K358-L362 HydrophobicContact CB-CD2 4.17Å; K358-L362 HydrophobicContact CG-CD2 4.1Å; K358-N363 WeakPolarHBondContact CB-OD1 3.45Å; K358-N363 WeakPolarHBondContact CD-OD1 3.49Å; K358-I366 HydrophobicContact CD-CD1 4.41Å
359	G	74.8	Confident	82.2	Confident	21 Å²	21	72.2 Å²	72.2	22%	0.216	37%	0.374	C	S	.	.			trans	-63.6	152.7	173	0	0	0	0	0	111.3	N352 E357 P361 L362 N363	N352-G359 PolarHBondContact OD1-N 2.93Å; E357-G359 PolarHBondContact O-N 2.89Å; G359-P361 VanDerWaalsContact C-N 3.26Å; G359-L362 WeakPolarHBondContact O-CB 3.33Å; G359-L362 PolarHBondContact O-N 3.06Å; G359-N363 PolarHBondContact O-N 3.42Å
360	D	83.2	Confident	82.2	Confident	125 Å²	125	75 Å²	75	67%	0.668	39%	0.392	S	S	*	.	H	α-helix	trans	-48.7	-41	175.5	-59.6	-26.2	0	0	0	113.4	L362 N363 I364	D360-L362 VanDerWaalsContact C-N 3.31Å; D360-L362 PolarHBondContact O-N 3.5Å; D360-N363 PolarHBondContact O-N 2.94Å; D360-I364 VanDerWaalsContact O-CG1 3.28Å; D360-I364 WeakPolarHBondContact O-CG1 3.43Å; D360-I364 PolarHBondContact O-N 3.37Å
361	P	86.5	Confident	82.5	Confident	71 Å²	71	77 Å²	77	46%	0.461	40%	0.399	S	S	.	.	H	α-helix	trans	-60.1	-37.1	176.6	-25.7	36.6	0	0	0	114.1	E348 G359 I364 A365	E348-P361 WeakPolarHBondContact OE2-CB 3.46Å; G359-P361 VanDerWaalsContact C-N 3.26Å; P361-I364 PolarHBondContact O-N 3.16Å; P361-A365 WeakPolarHBondContact O-CB 3.16Å; P361-A365 PolarHBondContact O-N 2.96Å
362	L	86.8	Confident	82.9	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-70	-41.5	178	177.1	62.1	0	0	0	111.2	P291 L345 E348 Y349 N352 K358 G359 D360 I364 A365 I366	P291-L362 HydrophobicContact CG-CD2 3.75Å; L345-L362 HydrophobicContact CD1-CD1 3.98Å; E348-L362 HydrophobicContact CB-CB 4.45Å; E348-L362 HydrophobicContact CB-CD1 3.87Å; Y349-L362 HydrophobicContact CD1-CD1 4Å; Y349-L362 HydrophobicContact CD1-CD2 4.11Å; Y349-L362 HydrophobicContact CD2-CD1 3.98Å; Y349-L362 HydrophobicContact CE1-CD1 4.05Å; Y349-L362 HydrophobicContact CE1-CD2 3.94Å; Y349-L362 HydrophobicContact CE2-CD1 4.03Å; Y349-L362 HydrophobicContact CG-CD1 3.95Å; N352-L362 HydrophobicContact CB-CD2 4.15Å; K358-L362 HydrophobicContact CB-CD2 4.17Å; K358-L362 HydrophobicContact CG-CD2 4.1Å; G359-L362 WeakPolarHBondContact O-CB 3.33Å; G359-L362 PolarHBondContact O-N 3.06Å; D360-L362 VanDerWaalsContact C-N 3.31Å; D360-L362 PolarHBondContact O-N 3.5Å; L362-I364 VanDerWaalsContact C-N 3.33Å; L362-I364 PolarHBondContact O-N 2.89Å; L362-A365 PolarHBondContact O-N 3.15Å; L362-I366 HydrophobicContact CD1-CD1 4.31Å; L362-I366 HydrophobicContact CD1-CG1 4.39Å; L362-I366 HydrophobicContact CG-CD1 4.07Å; L362-I366 VanDerWaalsContact O-CG1 3.32Å; L362-I366 WeakPolarHBondContact O-CG1 3.22Å; L362-I366 PolarHBondContact O-N 3.44Å
363	N	87.3	Confident	83.5	Confident	58 Å²	58	74.2 Å²	74.2	31%	0.31	38%	0.381	S	S	.	.	H	α-helix	trans	-62.3	-43.5	175.8	-66.2	-33.1	0	0	0	110.6	K358 G359 D360 A365 I366 D367	K358-N363 WeakPolarHBondContact CB-OD1 3.45Å; K358-N363 WeakPolarHBondContact CD-OD1 3.49Å; G359-N363 PolarHBondContact O-N 3.42Å; D360-N363 PolarHBondContact O-N 2.94Å; N363-A365 VanDerWaalsContact C-N 3.29Å; N363-A365 PolarHBondContact O-N 3.22Å; N363-I366 PolarHBondContact O-N 2.95Å; N363-D367 VanDerWaalsContact O-CG 3.24Å; N363-D367 PolarHBondContact O-N 3.43Å
364	I	90.2	Very high	84.3	Confident	113 Å²	113	74.4 Å²	74.4	58%	0.579	37%	0.373	S	S	*	.	H	α-helix	trans	-59.4	-40.2	174.7	-66.8	164.6	0	0	0	111.4	D360 P361 L362 D367 K368	D360-I364 VanDerWaalsContact O-CG1 3.28Å; D360-I364 WeakPolarHBondContact O-CG1 3.43Å; D360-I364 PolarHBondContact O-N 3.37Å; P361-I364 PolarHBondContact O-N 3.16Å; L362-I364 VanDerWaalsContact C-N 3.33Å; L362-I364 PolarHBondContact O-N 2.89Å; I364-D367 PolarHBondContact O-N 3.31Å; I364-K368 VanDerWaalsContact O-CB 3.26Å; I364-K368 WeakPolarHBondContact O-CB 3.43Å; I364-K368 PolarHBondContact O-N 2.98Å
365	A	90.7	Very high	85.3	Confident	9 Å²	9	72.6 Å²	72.6	7%	0.074	35%	0.351	C	S	.	.	H	α-helix	trans	-68.3	-38.9	177.3	0	0	0	0	0	112.7	L345 E348 P361 L362 N363 K368 M369	L345-A365 HydrophobicContact CD1-CB 3.97Å; E348-A365 HydrophobicContact CB-CB 4.13Å; E348-A365 HydrophobicContact CG-CB 3.86Å; P361-A365 WeakPolarHBondContact O-CB 3.16Å; P361-A365 PolarHBondContact O-N 2.96Å; L362-A365 PolarHBondContact O-N 3.15Å; N363-A365 VanDerWaalsContact C-N 3.29Å; N363-A365 PolarHBondContact O-N 3.22Å; A365-K368 PolarHBondContact O-N 2.91Å; A365-M369 WeakPolarHBondContact O-CB 3.34Å; A365-M369 PolarHBondContact O-N 3.38Å
366	I	89.8	Confident	86.3	Confident	15 Å²	15	65.4 Å²	65.4	8%	0.077	32%	0.324	C	S	.	.	H	α-helix	trans	-63.3	-45.7	173.9	-67.9	166.8	0	0	0	110.2	L345 K358 L362 N363 K368 M369 T370	L345-I366 HydrophobicContact CD1-CB 4.44Å; L345-I366 HydrophobicContact CD1-CG1 3.56Å; K358-I366 HydrophobicContact CD-CD1 4.41Å; L362-I366 HydrophobicContact CD1-CD1 4.31Å; L362-I366 HydrophobicContact CD1-CG1 4.39Å; L362-I366 HydrophobicContact CG-CD1 4.07Å; L362-I366 VanDerWaalsContact O-CG1 3.32Å; L362-I366 WeakPolarHBondContact O-CG1 3.22Å; L362-I366 PolarHBondContact O-N 3.44Å; N363-I366 PolarHBondContact O-N 2.95Å; I366-K368 PolarHBondContact O-N 3.32Å; I366-M369 WeakPolarHBondContact O-CB 3.33Å; I366-M369 PolarHBondContact O-N 3.13Å; I366-T370 WeakPolarHBondContact O-CB 3.38Å; I366-T370 PolarHBondContact O-N 3.41Å; I366-T370 PolarHBondContact O-OG1 2.81Å
367	D	89.7	Confident	87.7	Confident	107 Å²	107	58 Å²	58	57%	0.572	29%	0.291	S	S	*	.	H	α-helix	trans	-63.8	-42.1	178.3	-66.7	-19.3	0	0	0	110.9	N363 I364 T370 K371	N363-D367 VanDerWaalsContact O-CG 3.24Å; N363-D367 PolarHBondContact O-N 3.43Å; I364-D367 PolarHBondContact O-N 3.31Å; D367-T370 PolarHBondContact O-N 3.43Å; D367-K371 VanDerWaalsContact O-CB 3.27Å; D367-K371 WeakPolarHBondContact O-CB 3.31Å; D367-K371 PolarHBondContact O-N 3.31Å
368	K	92.7	Very high	88.9	Confident	96 Å²	96	50.7 Å²	50.7	42%	0.417	26%	0.256	S	S	.	.	H	α-helix	trans	-61.3	-44.3	174.8	-175.6	-175.4	177.9	-170.8	0	111.6	D344 I364 A365 I366 K371 K372	D344-K368 IonicContact OD2-NZ 3.25Å; D344-K368 PolarHBondContact OD2-NZ 2.83Å; I364-K368 VanDerWaalsContact O-CB 3.26Å; I364-K368 WeakPolarHBondContact O-CB 3.43Å; I364-K368 PolarHBondContact O-N 2.98Å; A365-K368 PolarHBondContact O-N 2.91Å; I366-K368 PolarHBondContact O-N 3.32Å; K368-K371 PolarHBondContact O-N 3.05Å; K368-K372 WeakPolarHBondContact O-CG 2.83Å; K368-K372 PolarHBondContact O-N 3.42Å
369	M	94.3	Very high	90.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.7	-51	176.5	-176.2	72.7	-113.5	0	0	110.9	F283 I287 V338 A341 L342 L345 A365 I366 K371 K372 T373	F283-M369 HydrophobicContact CE1-CE 3.53Å; F283-M369 HydrophobicContact CE1-SD 4.31Å; F283-M369 HydrophobicContact CZ-CE 3.97Å; F283-M369 HydrophobicContact CZ-SD 4.41Å; I287-M369 HydrophobicContact CD1-CB 4.11Å; I287-M369 HydrophobicContact CD1-CG 3.48Å; I287-M369 VanDerWaalsContact CD1-CG 3.48Å; I287-M369 HydrophobicContact CG2-CG 4.27Å; V338-M369 HydrophobicContact CB-CE 4.27Å; V338-M369 HydrophobicContact CG1-CE 3.42Å; V338-M369 VanDerWaalsContact CG1-CE 3.42Å; A341-M369 VanDerWaalsContact C-SD 3.6Å; A341-M369 HydrophobicContact CB-CE 4.25Å; A341-M369 HydrophobicContact CB-SD 3.86Å; L342-M369 VanDerWaalsContact CA-SD 3.57Å; L342-M369 HydrophobicContact CB-SD 3.92Å; L342-M369 PolarHBondContact N-SD 3.33Å; L342-M369 VanDerWaalsContact N-SD 3.36Å; L345-M369 HydrophobicContact CD2-CB 4.02Å; L345-M369 HydrophobicContact CD2-CG 3.84Å; L345-M369 HydrophobicContact CD2-SD 4.46Å; A365-M369 WeakPolarHBondContact O-CB 3.34Å; A365-M369 PolarHBondContact O-N 3.38Å; I366-M369 WeakPolarHBondContact O-CB 3.33Å; I366-M369 PolarHBondContact O-N 3.13Å; M369-K371 VanDerWaalsContact C-N 3.32Å; M369-K371 PolarHBondContact O-N 3.5Å; M369-K372 PolarHBondContact O-N 2.96Å; M369-T373 PolarHBondContact O-N 2.89Å; M369-T373 PolarHBondContact O-OG1 2.82Å; M369-T373 VanDerWaalsContact O-OG1 3.12Å
370	T	90.8	Very high	91.1	Very high	60 Å²	60	46.2 Å²	46.2	37%	0.368	23%	0.231	S	C	.	.	H	α-helix	trans	-59.6	-43.6	179	-52	0	0	0	0	111.2	I366 D367 K372 T373 R374	I366-T370 WeakPolarHBondContact O-CB 3.38Å; I366-T370 PolarHBondContact O-N 3.41Å; I366-T370 PolarHBondContact O-OG1 2.81Å; D367-T370 PolarHBondContact O-N 3.43Å; T370-K372 VanDerWaalsContact C-N 3.34Å; T370-K372 PolarHBondContact O-N 3.37Å; T370-T373 PolarHBondContact O-N 3.47Å; T370-R374 WeakPolarHBondContact O-CB 3.37Å; T370-R374 PolarHBondContact O-N 3.36Å
371	K	91.3	Very high	91.6	Very high	117 Å²	117	43.2 Å²	43.2	51%	0.509	21%	0.21	S	C	.	.	H	α-helix	trans	-59.3	-43.3	174.2	-178.9	175.9	178.4	174.9	0	111.7	D367 K368 M369 R374 D375	D367-K371 VanDerWaalsContact O-CB 3.27Å; D367-K371 WeakPolarHBondContact O-CB 3.31Å; D367-K371 PolarHBondContact O-N 3.31Å; K368-K371 PolarHBondContact O-N 3.05Å; M369-K371 VanDerWaalsContact C-N 3.32Å; M369-K371 PolarHBondContact O-N 3.5Å; K371-R374 WeakPolarHBondContact O-CB 3.45Å; K371-R374 PolarHBondContact O-N 2.79Å; K371-D375 PolarHBondContact O-N 3.37Å
372	K	94.7	Very high	91.9	Very high	47 Å²	47	39.9 Å²	39.9	20%	0.204	19%	0.188	C	C	.	.	H	α-helix	trans	-70.1	-37.2	178.9	-73	-44.8	-164.9	172.9	0	113.7	E334 A337 V338 A341 K368 M369 T370 R374 D375 L376	E334-K372 IonicContact OE1-NZ 3.26Å; E334-K372 PolarHBondContact OE1-NZ 3.13Å; E334-K372 IonicContact OE2-NZ 2.74Å; E334-K372 PolarHBondContact OE2-NZ 2.98Å; A337-K372 HydrophobicContact CB-CD 4.05Å; A337-K372 HydrophobicContact CB-CG 4.35Å; V338-K372 HydrophobicContact CG2-CB 3.91Å; V338-K372 WeakPolarHBondContact CG2-O 3.49Å; A341-K372 HydrophobicContact CB-CB 4.26Å; A341-K372 HydrophobicContact CB-CG 4.2Å; K368-K372 WeakPolarHBondContact O-CG 2.83Å; K368-K372 PolarHBondContact O-N 3.42Å; M369-K372 PolarHBondContact O-N 2.96Å; T370-K372 VanDerWaalsContact C-N 3.34Å; T370-K372 PolarHBondContact O-N 3.37Å; K372-R374 VanDerWaalsContact C-N 3.27Å; K372-R374 PolarHBondContact O-N 2.99Å; K372-D375 IonicContact NZ-OD2 3.06Å; K372-D375 PolarHBondContact NZ-OD2 2.97Å; K372-D375 PolarHBondContact O-N 3.37Å; K372-L376 PolarHBondContact O-N 3.44Å
373	T	92.9	Very high	92.3	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-63.6	-36.1	170.5	-39.7	0	0	0	0	111.4	L280 F283 D284 M369 T370 R377	L280-T373 HydrophobicContact CD2-CG2 3.55Å; F283-T373 HydrophobicContact CD1-CG2 4.41Å; D284-T373 WeakPolarHBondContact OD1-CB 3.2Å; D284-T373 VanDerWaalsContact OD1-CG2 3.3Å; D284-T373 WeakPolarHBondContact OD1-CG2 3.34Å; D284-T373 PolarHBondContact OD1-OG1 3.39Å; M369-T373 PolarHBondContact O-N 2.89Å; M369-T373 PolarHBondContact O-OG1 2.82Å; M369-T373 VanDerWaalsContact O-OG1 3.12Å; T370-T373 PolarHBondContact O-N 3.47Å; T373-R377 PolarHBondContact O-N 3.02Å
374	R	91.4	Very high	92.7	Very high	83 Å²	83	37.1 Å²	37.1	31%	0.313	17%	0.174	S	C	.	.	H	α-helix	trans	-67.2	-44.1	175.7	-170.5	171.8	73	169.8	4.5	112.4	T370 K371 K372 L376 R377 R378 E637 D638	T370-R374 WeakPolarHBondContact O-CB 3.37Å; T370-R374 PolarHBondContact O-N 3.36Å; K371-R374 WeakPolarHBondContact O-CB 3.45Å; K371-R374 PolarHBondContact O-N 2.79Å; K372-R374 VanDerWaalsContact C-N 3.27Å; K372-R374 PolarHBondContact O-N 2.99Å; R374-L376 VanDerWaalsContact C-N 3.35Å; R374-L376 PolarHBondContact O-N 2.67Å; R374-R377 WeakPolarHBondContact O-CB 3.3Å; R374-R377 PolarHBondContact O-N 3.07Å; R374-R378 PolarHBondContact O-N 2.9Å; R374-E637 IonicContact NH1-OE2 3.72Å; R374-E637 PolarHBondContact NH1-OE2 3.48Å; R374-D638 WeakPolarHBondContact CD-OD1 3.32Å; R374-D638 IonicContact CZ-OD1 3.55Å; R374-D638 IonicContact NE-OD1 2.84Å
375	D	91.2	Very high	93	Very high	13 Å²	13	32 Å²	32	7%	0.07	15%	0.147	C	C	.	.	H	α-helix	trans	-59.8	-44.2	174.4	-72.2	-26.4	0	0	0	111.4	E334 K371 K372 R378 Q379	E334-D375 HydrophobicContact CG-CB 4.27Å; K371-D375 PolarHBondContact O-N 3.37Å; K372-D375 IonicContact NZ-OD2 3.06Å; K372-D375 PolarHBondContact NZ-OD2 2.97Å; K372-D375 PolarHBondContact O-N 3.37Å; D375-R378 WeakPolarHBondContact O-CB 3.45Å; D375-R378 PolarHBondContact O-N 3.44Å; D375-R378 IonicContact OD1-CZ 3.37Å; D375-R378 IonicContact OD1-NH1 3.54Å; D375-R378 PolarHBondContact OD1-NH1 2.88Å; D375-R378 IonicContact OD1-NH2 2.83Å; D375-R378 PolarHBondContact OD1-NH2 3.4Å; D375-Q379 PolarHBondContact O-N 3Å; D375-Q379 VanDerWaalsContact O-N 3.11Å
376	L	94.8	Very high	93.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.3	-49.3	173.9	178.6	60	0	0	0	111.2	L280 I310 I331 E334 V338 K372 R374 R378 Q379 L380	L280-L376 HydrophobicContact CD2-CD2 4.43Å; I310-L376 HydrophobicContact CG2-CD2 4.08Å; I331-L376 HydrophobicContact CG2-CD1 4.48Å; E334-L376 HydrophobicContact CB-CB 4.28Å; E334-L376 HydrophobicContact CB-CD1 4.2Å; V338-L376 HydrophobicContact CG2-CB 4.05Å; V338-L376 HydrophobicContact CG2-CD2 4.12Å; K372-L376 PolarHBondContact O-N 3.44Å; R374-L376 VanDerWaalsContact C-N 3.35Å; R374-L376 PolarHBondContact O-N 2.67Å; L376-R378 VanDerWaalsContact C-N 3.26Å; L376-R378 PolarHBondContact O-N 3.17Å; L376-Q379 PolarHBondContact O-N 3.11Å; L376-Q379 VanDerWaalsContact O-N 3.15Å; L376-L380 HydrophobicContact CD1-CD1 4.17Å; L376-L380 HydrophobicContact CD1-CD2 4.29Å; L376-L380 HydrophobicContact CD1-CG 4.06Å; L376-L380 HydrophobicContact CG-CD1 3.93Å; L376-L380 HydrophobicContact CG-CG 4.27Å; L376-L380 VanDerWaalsContact O-CG 3.24Å; L376-L380 WeakPolarHBondContact O-CG 3.43Å; L376-L380 PolarHBondContact O-N 2.78Å
377	R	93.8	Very high	93.5	Very high	36 Å²	36	30.9 Å²	30.9	14%	0.136	14%	0.14	C	C	.	.	H	α-helix	trans	-51.6	-45.1	175.5	-86	-173.7	-173	94.4	-15.6	112.2	L280 N281 D284 T373 R374 L380 R381	L280-R377 VanDerWaalsContact CB-CZ 3.44Å; L280-R377 VanDerWaalsContact CB-NH2 3.32Å; L280-R377 HydrophobicContact CD1-CG 3.73Å; L280-R377 HydrophobicContact CD2-CG 4.49Å; L280-R377 PolarHBondContact O-NH2 3.46Å; L280-R377 VanDerWaalsContact O-NH2 3.16Å; N281-R377 PolarHBondContact OD1-NH2 3.31Å; D284-R377 IonicContact OD2-CZ 3.38Å; D284-R377 IonicContact OD2-NH1 3.45Å; D284-R377 PolarHBondContact OD2-NH1 3.1Å; D284-R377 IonicContact OD2-NH2 3.48Å; D284-R377 PolarHBondContact OD2-NH2 3.25Å; T373-R377 PolarHBondContact O-N 3.02Å; R374-R377 WeakPolarHBondContact O-CB 3.3Å; R374-R377 PolarHBondContact O-N 3.07Å; R377-L380 PolarHBondContact O-N 3.16Å; R377-R381 WeakPolarHBondContact O-CG 3.5Å; R377-R381 PolarHBondContact O-N 3.26Å
378	R	91.2	Very high	93.7	Very high	12 Å²	12	25.8 Å²	25.8	5%	0.045	11%	0.113	C	C	.	.	H	α-helix	trans	-61	-48.4	178.5	-179.9	172.1	73.5	-105.3	-4.1	112.2	R374 D375 L376 L380 R381 K382 D638 S640	R374-R378 PolarHBondContact O-N 2.9Å; D375-R378 WeakPolarHBondContact O-CB 3.45Å; D375-R378 PolarHBondContact O-N 3.44Å; D375-R378 IonicContact OD1-CZ 3.37Å; D375-R378 IonicContact OD1-NH1 3.54Å; D375-R378 PolarHBondContact OD1-NH1 2.88Å; D375-R378 IonicContact OD1-NH2 2.83Å; D375-R378 PolarHBondContact OD1-NH2 3.4Å; L376-R378 VanDerWaalsContact C-N 3.26Å; L376-R378 PolarHBondContact O-N 3.17Å; R378-L380 VanDerWaalsContact C-N 3.26Å; R378-L380 PolarHBondContact O-N 2.82Å; R378-R381 PolarHBondContact O-N 3.47Å; R378-K382 HydrophobicContact CG-CD 4.49Å; R378-K382 WeakPolarHBondContact O-CG 3.33Å; R378-K382 PolarHBondContact O-N 3.02Å; R378-D638 WeakPolarHBondContact CD-O 3.48Å; R378-D638 PolarHBondContact NE-O 3.37Å; R378-D638 PolarHBondContact NH1-O 2.93Å; R378-S640 VanDerWaalsContact CZ-OG 3.28Å; R378-S640 PolarHBondContact NE-OG 3.26Å; R378-S640 PolarHBondContact NH2-OG 3.28Å
379	Q	94	Very high	93.8	Very high	7 Å²	7	21.3 Å²	21.3	3%	0.033	9%	0.094	C	C	.	.	H	α-helix	trans	-62.8	-36.4	177.8	-65.8	-55.7	-36.9	0	0	112	R330 I331 E334 D375 L376 K382 A383	R330-Q379 HydrophobicContact CB-CG 4.32Å; I331-Q379 HydrophobicContact CG1-CB 3.88Å; E334-Q379 HydrophobicContact CG-CG 4.12Å; D375-Q379 PolarHBondContact O-N 3Å; D375-Q379 VanDerWaalsContact O-N 3.11Å; L376-Q379 PolarHBondContact O-N 3.11Å; L376-Q379 VanDerWaalsContact O-N 3.15Å; Q379-K382 PolarHBondContact O-N 3.45Å; Q379-A383 WeakPolarHBondContact O-CB 3.35Å; Q379-A383 PolarHBondContact O-N 3.26Å
380	L	95.1	Very high	93.7	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-65.4	-45.5	174.7	-64.1	175	0	0	0	111.9	L276 L280 A314 M317 I331 L376 R377 R378 K382 A383 V384 I438	L276-L380 HydrophobicContact CD2-CD1 3.9Å; L280-L380 HydrophobicContact CD1-CD1 4.19Å; A314-L380 HydrophobicContact CB-CD2 3.59Å; M317-L380 VanDerWaalsContact CE-CA 3.4Å; M317-L380 HydrophobicContact CE-CB 3.54Å; M317-L380 HydrophobicContact CE-CD2 3.21Å; M317-L380 HydrophobicContact CE-CG 3.91Å; M317-L380 VanDerWaalsContact CE-O 3.27Å; M317-L380 WeakPolarHBondContact CE-O 3.16Å; I331-L380 HydrophobicContact CG2-CD2 4.29Å; L376-L380 HydrophobicContact CD1-CD1 4.17Å; L376-L380 HydrophobicContact CD1-CD2 4.29Å; L376-L380 HydrophobicContact CD1-CG 4.06Å; L376-L380 HydrophobicContact CG-CD1 3.93Å; L376-L380 HydrophobicContact CG-CG 4.27Å; L376-L380 VanDerWaalsContact O-CG 3.24Å; L376-L380 WeakPolarHBondContact O-CG 3.43Å; L376-L380 PolarHBondContact O-N 2.78Å; R377-L380 PolarHBondContact O-N 3.16Å; R378-L380 VanDerWaalsContact C-N 3.26Å; R378-L380 PolarHBondContact O-N 2.82Å; L380-K382 PolarHBondContact O-N 3.12Å; L380-A383 PolarHBondContact O-N 2.96Å; L380-V384 PolarHBondContact O-N 3.38Å; L380-I438 HydrophobicContact CB-CG2 4.48Å
381	R	94.3	Very high	93.9	Very high	62 Å²	62	21.3 Å²	21.3	23%	0.234	9%	0.092	C	C	.	.	H	α-helix	trans	-56.4	-48.7	173.8	-71	-165.5	-58	-102.3	9.9	111.5	R377 R378 A383 V384 M385 I438 D508 D638	R377-R381 WeakPolarHBondContact O-CG 3.5Å; R377-R381 PolarHBondContact O-N 3.26Å; R378-R381 PolarHBondContact O-N 3.47Å; R381-A383 VanDerWaalsContact C-N 3.31Å; R381-A383 PolarHBondContact O-N 3.45Å; R381-V384 WeakPolarHBondContact O-CB 3.45Å; R381-V384 PolarHBondContact O-N 2.99Å; R381-M385 WeakPolarHBondContact O-CG 3.31Å; R381-M385 PolarHBondContact O-N 3.32Å; R381-I438 HydrophobicContact CB-CD1 4.28Å; R381-I438 HydrophobicContact CG-CD1 3.96Å; R381-D508 WeakPolarHBondContact CB-OD2 3.26Å; R381-D508 VanDerWaalsContact CD-OD2 3.32Å; R381-D508 WeakPolarHBondContact CD-OD2 3.44Å; R381-D508 IonicContact CZ-OD2 3.9Å; R381-D508 IonicContact NE-OD2 3.64Å; R381-D508 PolarHBondContact NE-OD2 2.89Å; R381-D638 IonicContact CZ-OD2 2.66Å; R381-D638 IonicContact NH1-OD2 3.66Å; R381-D638 IonicContact NH2-OD2 2.87Å; R381-D638 PolarHBondContact NH2-OD2 3.2Å
382	K	93.5	Very high	94	Very high	1 Å²	1	15.9 Å²	15.9	0%	0.004	7%	0.069	C	C	.	.	H	α-helix	trans	-62.2	-36.3	178	-69.7	-175.7	173.6	-173.5	0	112.7	R378 Q379 L380 M385 D386 S511 V512 D641	R378-K382 HydrophobicContact CG-CD 4.49Å; R378-K382 WeakPolarHBondContact O-CG 3.33Å; R378-K382 PolarHBondContact O-N 3.02Å; Q379-K382 PolarHBondContact O-N 3.45Å; L380-K382 PolarHBondContact O-N 3.12Å; K382-M385 WeakPolarHBondContact O-CB 3.25Å; K382-M385 PolarHBondContact O-N 3.13Å; K382-M385 VanDerWaalsContact O-N 3.17Å; K382-D386 PolarHBondContact O-N 2.92Å; K382-S511 PolarHBondContact NZ-OG 2.97Å; K382-V512 HydrophobicContact CB-CG2 3.94Å; K382-V512 HydrophobicContact CG-CG2 4.14Å; K382-D641 IonicContact NZ-OD2 2.89Å; K382-D641 PolarHBondContact NZ-OD2 3.11Å
383	A	95.3	Very high	93.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-66.9	-39.7	174.8	0	0	0	0	0	112.4	M317 T323 R327 I331 Q379 L380 R381 M385 D386 H387	M317-A383 HydrophobicContact CE-CB 3.82Å; M317-A383 HydrophobicContact CG-CB 4.12Å; M317-A383 HydrophobicContact SD-CB 4.07Å; T323-A383 HydrophobicContact CG2-CB 4.26Å; R327-A383 VanDerWaalsContact CD-CA 3.41Å; I331-A383 HydrophobicContact CD1-CB 3.86Å; Q379-A383 WeakPolarHBondContact O-CB 3.35Å; Q379-A383 PolarHBondContact O-N 3.26Å; L380-A383 PolarHBondContact O-N 2.96Å; R381-A383 VanDerWaalsContact C-N 3.31Å; R381-A383 PolarHBondContact O-N 3.45Å; A383-M385 VanDerWaalsContact C-N 3.26Å; A383-M385 PolarHBondContact O-N 2.94Å; A383-D386 WeakPolarHBondContact O-CB 3.48Å; A383-D386 PolarHBondContact O-N 3.35Å; A383-D386 VanDerWaalsContact O-N 3.16Å; A383-H387 PolarHBondContact O-CD2 3.46Å; A383-H387 PolarHBondContact O-N 2.89Å
384	V	95.9	Very high	93.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.2	-41.6	169.6	171.2	0	0	0	0	111	M317 L380 R381 D386 H387 I388 L434 A435 I438	M317-V384 HydrophobicContact CE-CG2 4.34Å; M317-V384 HydrophobicContact SD-CG2 3.38Å; M317-V384 WeakPolarHBondContact SD-CG2 3.4Å; L380-V384 PolarHBondContact O-N 3.38Å; R381-V384 WeakPolarHBondContact O-CB 3.45Å; R381-V384 PolarHBondContact O-N 2.99Å; V384-D386 VanDerWaalsContact C-N 3.29Å; V384-D386 PolarHBondContact O-N 2.99Å; V384-H387 WeakPolarHBondContact O-CB 3.36Å; V384-H387 PolarHBondContact O-N 3.44Å; V384-H387 VanDerWaalsContact O-N 3.12Å; V384-I388 HydrophobicContact CG1-CD1 3.67Å; V384-I388 HydrophobicContact CG1-CG1 4.22Å; V384-I388 WeakPolarHBondContact O-CG1 3.33Å; V384-I388 PolarHBondContact O-N 3.43Å; V384-L434 HydrophobicContact CG2-CD2 4.13Å; V384-L434 HydrophobicContact CG2-CG 3.83Å; V384-A435 HydrophobicContact CG1-CB 3.8Å; V384-I438 HydrophobicContact CB-CD1 3.6Å; V384-I438 HydrophobicContact CG1-CD1 3.97Å; V384-I438 HydrophobicContact CG2-CD1 3.29Å; V384-I438 HydrophobicContact CG2-CG1 3.86Å; V384-I438 HydrophobicContact CG2-CG2 4.47Å
385	M	95.1	Very high	93.4	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.02	8%	0.078	C	C	.	.	H	α-helix	trans	-63.2	-33.3	176.5	-59.8	-41.5	-58.6	0	0	112.7	R381 K382 A383 H387 I388 S389 T504 D508 F509 V512	R381-M385 WeakPolarHBondContact O-CG 3.31Å; R381-M385 PolarHBondContact O-N 3.32Å; K382-M385 WeakPolarHBondContact O-CB 3.25Å; K382-M385 PolarHBondContact O-N 3.13Å; K382-M385 VanDerWaalsContact O-N 3.17Å; A383-M385 VanDerWaalsContact C-N 3.26Å; A383-M385 PolarHBondContact O-N 2.94Å; M385-H387 VanDerWaalsContact C-N 3.31Å; M385-H387 PolarHBondContact O-N 3.49Å; M385-I388 HydrophobicContact CE-CB 4.46Å; M385-I388 HydrophobicContact CE-CD1 4.09Å; M385-I388 HydrophobicContact CE-CG2 4.44Å; M385-I388 PolarHBondContact O-N 3.48Å; M385-I388 HydrophobicContact SD-CD1 3.97Å; M385-S389 WeakPolarHBondContact O-CB 3.42Å; M385-S389 PolarHBondContact O-N 3.33Å; M385-T504 HydrophobicContact CE-CG2 4.49Å; M385-T504 HydrophobicContact SD-CG2 3.86Å; M385-D508 HydrophobicContact CG-CB 3.8Å; M385-F509 HydrophobicContact CE-CB 3.52Å; M385-F509 HydrophobicContact CE-CD2 3.45Å; M385-F509 VanDerWaalsContact CE-CD2 3.45Å; M385-F509 HydrophobicContact CE-CG 3.94Å; M385-V512 HydrophobicContact CB-CB 3.94Å; M385-V512 HydrophobicContact CB-CG1 4.12Å; M385-V512 HydrophobicContact CB-CG2 3.81Å
386	D	95.2	Very high	93.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-58.1	-48.3	172.2	-67.6	-10.7	0	0	0	110.6	C322 R324 R327 K382 A383 V384 I388 S389 D390 V512 H516	C322-D386 WeakPolarHBondContact O-CB 3.4Å; R324-D386 PolarHBondContact N-OD2 3.24Å; R327-D386 VanDerWaalsContact CD-OD2 3.31Å; R327-D386 WeakPolarHBondContact CD-OD2 3.28Å; R327-D386 IonicContact CZ-OD1 2.63Å; R327-D386 IonicContact CZ-OD2 3.54Å; R327-D386 IonicContact NE-OD1 2.77Å; R327-D386 PolarHBondContact NE-OD1 3.3Å; R327-D386 IonicContact NE-OD2 3.26Å; R327-D386 PolarHBondContact NE-OD2 3.4Å; R327-D386 IonicContact NH2-OD1 3.78Å; R327-D386 PolarHBondContact NH2-OD1 2.95Å; R327-D386 IonicContact NH2-OD2 2.59Å; K382-D386 PolarHBondContact O-N 2.92Å; A383-D386 WeakPolarHBondContact O-CB 3.48Å; A383-D386 PolarHBondContact O-N 3.35Å; A383-D386 VanDerWaalsContact O-N 3.16Å; V384-D386 VanDerWaalsContact C-N 3.29Å; V384-D386 PolarHBondContact O-N 2.99Å; D386-I388 PolarHBondContact O-N 3.5Å; D386-S389 PolarHBondContact O-N 3.04Å; D386-D390 PolarHBondContact O-N 3.01Å; D386-V512 WeakPolarHBondContact OD1-CG1 3.43Å; D386-H516 IonicContact OD1-CE1 3.09Å; D386-H516 IonicContact OD1-NE2 3.7Å; D386-H516 PolarHBondContact OD1-NE2 2.92Å
387	H	95.2	Very high	93.4	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.009	11%	0.107	C	C	.	.	H	α-helix	trans	-64.7	-41.4	-178.1	-71.3	-136.6	0	0	0	111.8	S320 C322 T323 A383 V384 M385 S391 V431 L434	S320-H387 WeakPolarHBondContact CB-CE1 3.26Å; S320-H387 PolarHBondContact OG-CE1 2.93Å; C322-H387 HydrophobicContact CB-CB 4.16Å; C322-H387 VanDerWaalsContact CB-CD2 3.4Å; C322-H387 WeakPolarHBondContact CB-CD2 3.47Å; T323-H387 PolarHBondContact OG1-NE2 3.44Å; A383-H387 PolarHBondContact O-CD2 3.46Å; A383-H387 PolarHBondContact O-N 2.89Å; V384-H387 WeakPolarHBondContact O-CB 3.36Å; V384-H387 PolarHBondContact O-N 3.44Å; V384-H387 VanDerWaalsContact O-N 3.12Å; M385-H387 VanDerWaalsContact C-N 3.31Å; M385-H387 PolarHBondContact O-N 3.49Å; H387-S391 WeakPolarHBondContact O-CB 3.41Å; H387-S391 PolarHBondContact O-N 2.95Å; H387-S391 PolarHBondContact O-OG 3.4Å; H387-V431 HydrophobicContact CB-CB 4.49Å; H387-V431 HydrophobicContact CB-CG1 3.79Å; H387-V431 HydrophobicContact CB-CG2 3.87Å; H387-L434 HydrophobicContact CB-CD2 4.35Å; H387-L434 WeakPolarHBondContact ND1-CD2 3.49Å
388	I	95.6	Very high	93.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.6	-48.6	176.6	-68.3	169.8	0	0	0	110	V384 M385 D386 D390 S391 F392 V431 A435 V500 T504	V384-I388 HydrophobicContact CG1-CD1 3.67Å; V384-I388 HydrophobicContact CG1-CG1 4.22Å; V384-I388 WeakPolarHBondContact O-CG1 3.33Å; V384-I388 PolarHBondContact O-N 3.43Å; M385-I388 HydrophobicContact CE-CB 4.46Å; M385-I388 HydrophobicContact CE-CD1 4.09Å; M385-I388 HydrophobicContact CE-CG2 4.44Å; M385-I388 PolarHBondContact O-N 3.48Å; M385-I388 HydrophobicContact SD-CD1 3.97Å; D386-I388 PolarHBondContact O-N 3.5Å; I388-D390 PolarHBondContact O-N 2.82Å; I388-S391 PolarHBondContact O-N 2.96Å; I388-F392 HydrophobicContact CG2-CD2 4.26Å; I388-F392 WeakPolarHBondContact O-CB 3.48Å; I388-F392 PolarHBondContact O-N 3.36Å; I388-V431 HydrophobicContact CB-CG1 4.43Å; I388-V431 HydrophobicContact CG1-CG1 3.66Å; I388-A435 HydrophobicContact CD1-CB 4.11Å; I388-V500 HydrophobicContact CD1-CG1 3.6Å; I388-V500 HydrophobicContact CG1-CG1 4.01Å; I388-V500 HydrophobicContact CG2-CG1 4.42Å; I388-T504 HydrophobicContact CD1-CG2 3.61Å
389	S	93.8	Very high	93.9	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.014	11%	0.106	C	C	.	.	H	α-helix	trans	-60.2	-35.2	-177.4	-164	0	0	0	0	111.8	M385 D386 H516 R546	M385-S389 WeakPolarHBondContact O-CB 3.42Å; M385-S389 PolarHBondContact O-N 3.33Å; D386-S389 PolarHBondContact O-N 3.04Å; S389-H516 PolarHBondContact OG-ND1 3.35Å; S389-R546 VanDerWaalsContact C-NH1 3.3Å; S389-R546 PolarHBondContact O-NH1 3.43Å; S389-R546 VanDerWaalsContact O-NH1 3.1Å; S389-R546 PolarHBondContact OG-NH1 3.46Å
390	D	93.2	Very high	94.1	Very high	46 Å²	46	23.9 Å²	23.9	25%	0.246	13%	0.125	C	C	.	.	H	α-helix	trans	-84.9	-44.6	177.7	-68.5	-14.7	0	0	0	113	R324 D386 I388 H516 R546	R324-D390 IonicContact CZ-OD2 3.74Å; R324-D390 IonicContact NH1-OD2 3.14Å; R324-D390 PolarHBondContact NH1-OD2 2.9Å; R324-D390 IonicContact NH2-OD1 3.44Å; R324-D390 PolarHBondContact NH2-OD1 3.08Å; R324-D390 IonicContact NH2-OD2 3.91Å; R324-D390 PolarHBondContact NH2-OD2 3.09Å; D386-D390 PolarHBondContact O-N 3.01Å; I388-D390 PolarHBondContact O-N 2.82Å; D390-H516 IonicContact OD1-CE1 2.74Å; D390-H516 IonicContact OD1-ND1 2.72Å; D390-R546 IonicContact OD1-CZ 3.45Å; D390-R546 VanDerWaalsContact OD1-CZ 3.26Å; D390-R546 IonicContact OD1-NH1 3.1Å; D390-R546 PolarHBondContact OD1-NH1 3.3Å; D390-R546 IonicContact OD1-NH2 2.85Å; D390-R546 PolarHBondContact OD1-NH2 3.19Å
391	S	93.6	Very high	94.1	Very high	13 Å²	13	26.3 Å²	26.3	9%	0.091	14%	0.139	C	C	.	.	H	α-helix	trans	-79.5	-28.9	-171.5	-52.6	0	0	0	0	113.5	H387 I388 K427 L428 V431	H387-S391 WeakPolarHBondContact O-CB 3.41Å; H387-S391 PolarHBondContact O-N 2.95Å; H387-S391 PolarHBondContact O-OG 3.4Å; I388-S391 PolarHBondContact O-N 2.96Å; S391-K427 WeakPolarHBondContact OG-CE 3.44Å; S391-L428 VanDerWaalsContact O-CD2 3.25Å; S391-L428 WeakPolarHBondContact O-CD2 3.41Å; S391-V431 WeakPolarHBondContact OG-CG2 3.49Å
392	F	94.2	Very high	94.3	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.018	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	16.7	-179.8	-71.2	-98.2	0	0	0	113.5	I388 T395 L428 V431 A432 L496 T497 V500 R549	I388-F392 HydrophobicContact CG2-CD2 4.26Å; I388-F392 WeakPolarHBondContact O-CB 3.48Å; I388-F392 PolarHBondContact O-N 3.36Å; F392-T395 HydrophobicContact CB-CG2 4.35Å; F392-T395 HydrophobicContact CD1-CG2 4.44Å; F392-L428 HydrophobicContact CD1-CD2 3.88Å; F392-L428 HydrophobicContact CD2-CD2 4.21Å; F392-L428 HydrophobicContact CE1-CD2 3.89Å; F392-L428 HydrophobicContact CE2-CD2 4.2Å; F392-L428 HydrophobicContact CG-CD2 4.06Å; F392-L428 HydrophobicContact CZ-CB 4.46Å; F392-L428 HydrophobicContact CZ-CD2 4.05Å; F392-V431 HydrophobicContact CD2-CG1 4.28Å; F392-V431 HydrophobicContact CE2-CB 4.11Å; F392-V431 HydrophobicContact CE2-CG1 3.83Å; F392-A432 HydrophobicContact CZ-CB 4.45Å; F392-L496 HydrophobicContact CE1-CD2 4.07Å; F392-L496 HydrophobicContact CE1-CG 4.02Å; F392-L496 HydrophobicContact CZ-CD2 4.11Å; F392-L496 HydrophobicContact CZ-CG 4.2Å; F392-T497 HydrophobicContact CD1-CG2 4.1Å; F392-T497 WeakPolarHBondContact CD1-OG1 3.45Å; F392-V500 HydrophobicContact CZ-CG2 4.17Å; F392-R549 VanDerWaalsContact CB-NH1 3.28Å; F392-R549 PolarHBondContact O-NH1 2.89Å
393	L	89.8	Confident	94.6	Very high	31 Å²	31	23.6 Å²	23.6	16%	0.162	13%	0.13	C	C	.	.	S	Bend	trans	-79.7	-58.9	-179.1	-170.2	58.9	0	0	0	112.4	A542 R546	L393-A542 HydrophobicContact CD2-CB 3.92Å; L393-R546 HydrophobicContact CD1-CB 4.35Å; L393-R546 HydrophobicContact CD1-CG 3.68Å; L393-R546 VanDerWaalsContact CD1-N 3.3Å; L393-R546 HydrophobicContact CD2-CG 4.11Å
394	E	85.6	Confident	94.7	Very high	92 Å²	92	29.3 Å²	29.3	43%	0.43	16%	0.156	S	C	.	.	S	Bend	trans	-114.2	56.6	-174.3	-65.6	-167.5	161.6	0	0	112.1	N396 V397	E394-N396 PolarHBondContact O-N 3.5Å; E394-N396 VanDerWaalsContact O-N 3.09Å; E394-V397 HydrophobicContact CB-CG2 4.03Å; E394-V397 PolarHBondContact O-N 3.26Å
395	T	90.2	Very high	94.8	Very high	20 Å²	20	29.5 Å²	29.5	12%	0.123	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-17.5	-166.9	58.7	0	0	0	0	115.6	F392 H424 L428 V493	F392-T395 HydrophobicContact CB-CG2 4.35Å; F392-T395 HydrophobicContact CD1-CG2 4.44Å; T395-H424 PolarHBondContact O-CE1 3.01Å; T395-H424 VanDerWaalsContact O-CE1 3.23Å; T395-L428 HydrophobicContact CG2-CD2 4.15Å; T395-V493 HydrophobicContact CG2-CG1 4.05Å
396	N	93.5	Very high	94.9	Very high	50 Å²	50	29.3 Å²	29.3	27%	0.267	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-16	-175.3	-66.1	-41.9	0	0	0	114.2	E394 L399 L400	E394-N396 PolarHBondContact O-N 3.5Å; E394-N396 VanDerWaalsContact O-N 3.09Å; N396-L399 WeakPolarHBondContact O-CB 3.35Å; N396-L399 PolarHBondContact O-N 3.47Å; N396-L399 VanDerWaalsContact O-N 3.15Å; N396-L400 WeakPolarHBondContact O-CG 3.44Å; N396-L400 PolarHBondContact O-N 2.87Å
397	V	93.8	Very high	95	Very high	69 Å²	69	34.2 Å²	34.2	42%	0.418	18%	0.178	S	C	.	.	H	α-helix	trans	-59.1	-48.4	-173.4	174.4	0	0	0	0	111.9	E394 L399 L400 V401	E394-V397 HydrophobicContact CB-CG2 4.03Å; E394-V397 PolarHBondContact O-N 3.26Å; V397-L399 VanDerWaalsContact C-N 3.26Å; V397-L399 PolarHBondContact O-N 3.09Å; V397-L400 PolarHBondContact O-N 3.02Å; V397-L400 VanDerWaalsContact O-N 3.17Å; V397-V401 HydrophobicContact CG1-CG2 4.35Å; V397-V401 WeakPolarHBondContact O-CG2 3.39Å; V397-V401 PolarHBondContact O-N 3.37Å; V397-V401 VanDerWaalsContact O-N 3.1Å
398	P	96.3	Very high	95.1	Very high	21 Å²	21	37.7 Å²	37.7	14%	0.136	20%	0.203	C	C	.	.	H	α-helix	trans	-60.4	-33.3	178.1	-26.2	37.6	0	0	0	113.8	L402 F421 H424	P398-L402 VanDerWaalsContact O-CB 3.31Å; P398-L402 WeakPolarHBondContact O-CB 3.49Å; P398-L402 PolarHBondContact O-N 3.34Å; P398-L402 VanDerWaalsContact O-N 3.15Å; P398-F421 HydrophobicContact CB-CB 4.42Å; P398-F421 HydrophobicContact CB-CD2 4.23Å; P398-H424 HydrophobicContact CB-CB 4.32Å; P398-H424 HydrophobicContact CG-CB 3.95Å
399	L	98.3	Very high	95.2	Very high	1 Å²	1	39 Å²	39	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-67.6	-45.8	176.4	177.6	68.6	0	0	0	111.5	N396 V397 L402 I403 F421 V462 K486 W489 E490	N396-L399 WeakPolarHBondContact O-CB 3.35Å; N396-L399 PolarHBondContact O-N 3.47Å; N396-L399 VanDerWaalsContact O-N 3.15Å; V397-L399 VanDerWaalsContact C-N 3.26Å; V397-L399 PolarHBondContact O-N 3.09Å; L399-L402 PolarHBondContact O-N 3.05Å; L399-I403 HydrophobicContact CD1-CD1 3.96Å; L399-I403 HydrophobicContact CD1-CG1 4.43Å; L399-I403 HydrophobicContact CG-CD1 3.9Å; L399-I403 VanDerWaalsContact O-CG1 3.29Å; L399-I403 WeakPolarHBondContact O-CG1 3.42Å; L399-I403 PolarHBondContact O-N 2.96Å; L399-F421 HydrophobicContact CB-CD2 4.28Å; L399-F421 HydrophobicContact CB-CE2 3.96Å; L399-F421 HydrophobicContact CD1-CE2 3.88Å; L399-F421 HydrophobicContact CD1-CZ 4.29Å; L399-V462 HydrophobicContact CD1-CG1 3.47Å; L399-V462 VanDerWaalsContact CD1-CG1 3.47Å; L399-K486 HydrophobicContact CD2-CG 3.77Å; L399-K486 HydrophobicContact CG-CG 4.41Å; L399-W489 HydrophobicContact CD2-CG 4.31Å; L399-E490 HydrophobicContact CD2-CG 3.9Å
400	L	97.7	Very high	95.2	Very high	83 Å²	83	42.1 Å²	42.1	44%	0.435	23%	0.233	S	C	.	.	H	α-helix	trans	-65.1	-43.5	-177.4	-67	175.3	0	0	0	111.4	N396 V397 I403 E404	N396-L400 WeakPolarHBondContact O-CG 3.44Å; N396-L400 PolarHBondContact O-N 2.87Å; V397-L400 PolarHBondContact O-N 3.02Å; V397-L400 VanDerWaalsContact O-N 3.17Å; L400-I403 PolarHBondContact O-N 2.99Å; L400-E404 PolarHBondContact O-N 2.97Å
401	V	96.9	Very high	95.2	Very high	52 Å²	52	44.4 Å²	44.4	32%	0.315	24%	0.242	S	C	.	.	H	α-helix	trans	-64.3	-41.9	177.1	179	0	0	0	0	111.2	V397 I403 E404 A405 Y417	V397-V401 HydrophobicContact CG1-CG2 4.35Å; V397-V401 WeakPolarHBondContact O-CG2 3.39Å; V397-V401 PolarHBondContact O-N 3.37Å; V397-V401 VanDerWaalsContact O-N 3.1Å; V401-I403 VanDerWaalsContact C-N 3.34Å; V401-I403 PolarHBondContact O-N 3.47Å; V401-E404 PolarHBondContact O-N 3.42Å; V401-A405 PolarHBondContact O-N 3.34Å; V401-Y417 HydrophobicContact CG1-CD1 3.56Å; V401-Y417 HydrophobicContact CG1-CD2 3.67Å; V401-Y417 HydrophobicContact CG1-CE1 3.36Å; V401-Y417 HydrophobicContact CG1-CE2 3.44Å; V401-Y417 VanDerWaalsContact CG1-CE2 3.44Å; V401-Y417 HydrophobicContact CG1-CG 3.74Å
402	L	98.4	Very high	95.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.7	-43.9	173.6	175.5	63.9	0	0	0	112.1	P398 L399 A406 V414 A418 F421 V462 A466	P398-L402 VanDerWaalsContact O-CB 3.31Å; P398-L402 WeakPolarHBondContact O-CB 3.49Å; P398-L402 PolarHBondContact O-N 3.34Å; P398-L402 VanDerWaalsContact O-N 3.15Å; L399-L402 PolarHBondContact O-N 3.05Å; L402-A406 WeakPolarHBondContact O-CB 3.35Å; L402-A406 PolarHBondContact O-N 3.31Å; L402-V414 HydrophobicContact CD1-CG1 3.94Å; L402-A418 HydrophobicContact CD1-CB 4.21Å; L402-F421 HydrophobicContact CD2-CB 4.16Å; L402-F421 HydrophobicContact CD2-CD1 4.14Å; L402-F421 HydrophobicContact CD2-CD2 4.46Å; L402-F421 HydrophobicContact CD2-CG 3.99Å; L402-V462 HydrophobicContact CD2-CG1 4.48Å; L402-A466 HydrophobicContact CD1-CB 3.99Å; L402-A466 HydrophobicContact CD2-CB 4.04Å; L402-A466 HydrophobicContact CG-CB 3.81Å
403	I	98.2	Very high	95.5	Very high	6 Å²	6	53.4 Å²	53.4	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-68.7	-38.5	179.9	-70.6	172.1	0	0	0	111.3	L399 L400 V401 A406 K407 M482 K486	L399-I403 HydrophobicContact CD1-CD1 3.96Å; L399-I403 HydrophobicContact CD1-CG1 4.43Å; L399-I403 HydrophobicContact CG-CD1 3.9Å; L399-I403 VanDerWaalsContact O-CG1 3.29Å; L399-I403 WeakPolarHBondContact O-CG1 3.42Å; L399-I403 PolarHBondContact O-N 2.96Å; L400-I403 PolarHBondContact O-N 2.99Å; V401-I403 VanDerWaalsContact C-N 3.34Å; V401-I403 PolarHBondContact O-N 3.47Å; I403-A406 WeakPolarHBondContact O-CB 3.26Å; I403-A406 PolarHBondContact O-N 3.41Å; I403-K407 HydrophobicContact CG2-CD 4.2Å; I403-K407 HydrophobicContact CG2-CG 4.44Å; I403-K407 WeakPolarHBondContact O-CG 3.29Å; I403-K407 PolarHBondContact O-N 3.32Å; I403-M482 HydrophobicContact CD1-CE 3.79Å; I403-M482 HydrophobicContact CD1-CG 4.42Å; I403-M482 HydrophobicContact CG1-CE 3.7Å; I403-M482 HydrophobicContact CG1-CG 4.14Å; I403-M482 HydrophobicContact CG1-SD 4.23Å; I403-K486 HydrophobicContact CD1-CB 3.88Å; I403-K486 HydrophobicContact CD1-CD 3.68Å; I403-K486 HydrophobicContact CD1-CG 3.65Å
404	E	97.9	Very high	95.9	Very high	119 Å²	119	51.9 Å²	51.9	56%	0.556	27%	0.272	S	S	*	.	H	α-helix	trans	-65.7	-44	178.7	-167.9	55.7	-149.5	0	0	111.5	L400 V401 A406 K407 S408	L400-E404 PolarHBondContact O-N 2.97Å; V401-E404 PolarHBondContact O-N 3.42Å; E404-A406 VanDerWaalsContact C-N 3.26Å; E404-A406 PolarHBondContact O-N 3.5Å; E404-K407 PolarHBondContact O-N 2.89Å; E404-S408 PolarHBondContact O-N 3.26Å
405	A	97.7	Very high	96.4	Very high	4 Å²	4	53.6 Å²	53.6	3%	0.033	28%	0.278	C	S	.	.	H	α-helix	trans	-60.4	-35.3	171.5	0	0	0	0	0	112.5	V401 S408 G409 N410 E413 V414 Y417	V401-A405 PolarHBondContact O-N 3.34Å; A405-S408 PolarHBondContact O-OG 3Å; A405-G409 PolarHBondContact O-N 3.45Å; A405-N410 PolarHBondContact O-N 3.48Å; A405-E413 HydrophobicContact CB-CB 4.34Å; A405-E413 HydrophobicContact CB-CG 3.8Å; A405-V414 HydrophobicContact CB-CG2 3.73Å; A405-V414 WeakPolarHBondContact O-CG2 3.38Å; A405-Y417 HydrophobicContact CB-CD2 3.85Å; A405-Y417 HydrophobicContact CB-CE2 4.3Å
406	A	98.1	Very high	96.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-69.4	-39.6	175.8	0	0	0	0	0	112.4	L402 I403 E404 S408 G409 V414 A466 L469 A470	L402-A406 WeakPolarHBondContact O-CB 3.35Å; L402-A406 PolarHBondContact O-N 3.31Å; I403-A406 WeakPolarHBondContact O-CB 3.26Å; I403-A406 PolarHBondContact O-N 3.41Å; E404-A406 VanDerWaalsContact C-N 3.26Å; E404-A406 PolarHBondContact O-N 3.5Å; A406-S408 VanDerWaalsContact C-N 3.32Å; A406-S408 PolarHBondContact O-N 2.91Å; A406-G409 PolarHBondContact O-N 2.94Å; A406-V414 HydrophobicContact CB-CG2 4.06Å; A406-A466 HydrophobicContact CB-CB 4.16Å; A406-A466 WeakPolarHBondContact CB-O 3.35Å; A406-L469 HydrophobicContact CB-CB 4.13Å; A406-L469 HydrophobicContact CB-CD2 4.02Å; A406-L469 HydrophobicContact CB-CG 4.1Å; A406-A470 HydrophobicContact CB-CB 4.37Å; A406-A470 WeakPolarHBondContact O-CA 3.3Å
407	K	97.9	Very high	97	Very high	104 Å²	104	58.9 Å²	58.9	45%	0.452	30%	0.297	S	S	.	.	H	α-helix	trans	-66.4	-33	176.2	-74.2	174.7	178.9	175.6	0	112.7	I403 E404 G409 L469	I403-K407 HydrophobicContact CG2-CD 4.2Å; I403-K407 HydrophobicContact CG2-CG 4.44Å; I403-K407 WeakPolarHBondContact O-CG 3.29Å; I403-K407 PolarHBondContact O-N 3.32Å; E404-K407 PolarHBondContact O-N 2.89Å; K407-G409 PolarHBondContact O-N 3.45Å; K407-L469 HydrophobicContact CG-CD2 3.94Å
408	S	97.1	Very high	97.2	Very high	75 Å²	75	55.9 Å²	55.9	52%	0.524	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-13.3	175.4	76.5	0	0	0	0	113.2	E404 A405 A406 N410	E404-S408 PolarHBondContact O-N 3.26Å; A405-S408 PolarHBondContact O-OG 3Å; A406-S408 VanDerWaalsContact C-N 3.32Å; A406-S408 PolarHBondContact O-N 2.91Å; S408-N410 VanDerWaalsContact C-N 3.29Å; S408-N410 WeakPolarHBondContact OG-CB 3.47Å; S408-N410 PolarHBondContact OG-N 2.99Å
409	G	96.1	Very high	97.3	Very high	28 Å²	28	60.4 Å²	60.4	29%	0.289	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	15.1	-176.8	0	0	0	0	0	113.8	A405 A406 K407 E411 A470	A405-G409 PolarHBondContact O-N 3.45Å; A406-G409 PolarHBondContact O-N 2.94Å; K407-G409 PolarHBondContact O-N 3.45Å; G409-E411 PolarHBondContact O-N 3.26Å; G409-E411 VanDerWaalsContact O-N 3.14Å; G409-A470 WeakPolarHBondContact CA-O 3.36Å
410	N	95.1	Very high	97.2	Very high	66 Å²	66	63.6 Å²	63.6	35%	0.353	32%	0.318	S	S	.	.			trans	-85.1	82.4	-177.7	-169.7	-6.2	0	0	0	111.6	A405 S408 K412 E413 V414	A405-N410 PolarHBondContact O-N 3.48Å; S408-N410 VanDerWaalsContact C-N 3.29Å; S408-N410 WeakPolarHBondContact OG-CB 3.47Å; S408-N410 PolarHBondContact OG-N 2.99Å; N410-K412 PolarHBondContact O-N 3.46Å; N410-K412 VanDerWaalsContact O-N 3.12Å; N410-E413 HydrophobicContact CB-CB 3.98Å; N410-E413 VanDerWaalsContact ND2-CB 3.26Å; N410-E413 WeakPolarHBondContact ND2-CB 3.34Å; N410-E413 PolarHBondContact ND2-OE2 2.96Å; N410-E413 PolarHBondContact O-N 3.3Å; N410-E413 PolarHBondContact OD1-N 3.17Å; N410-V414 WeakPolarHBondContact O-CG2 3.41Å; N410-V414 PolarHBondContact O-N 3.17Å
411	E	93.6	Very high	97.3	Very high	95 Å²	95	59.7 Å²	59.7	44%	0.444	30%	0.298	S	S	.	.	H	α-helix	trans	-57.2	-29.2	-177.1	-69.6	-170.8	-168	0	0	114.6	G409 K415 A470	G409-E411 PolarHBondContact O-N 3.26Å; G409-E411 VanDerWaalsContact O-N 3.14Å; E411-K415 WeakPolarHBondContact O-CG 3.35Å; E411-K415 PolarHBondContact O-N 3.02Å; E411-A470 HydrophobicContact CG-CB 4.16Å
412	K	95.8	Very high	97.3	Very high	149 Å²	149	63.5 Å²	63.5	65%	0.648	31%	0.307	S	S	*	.	H	α-helix	trans	-69	-50.8	178.3	-176.4	-172.3	171.7	-162.4	0	110.2	N410 V414 K415 E416	N410-K412 PolarHBondContact O-N 3.46Å; N410-K412 VanDerWaalsContact O-N 3.12Å; K412-V414 VanDerWaalsContact C-N 3.32Å; K412-V414 PolarHBondContact O-N 2.7Å; K412-K415 WeakPolarHBondContact O-CB 3.29Å; K412-K415 PolarHBondContact O-N 2.61Å; K412-K415 VanDerWaalsContact O-N 3.12Å; K412-E416 VanDerWaalsContact CE-OE1 3.24Å; K412-E416 WeakPolarHBondContact CE-OE1 3.3Å; K412-E416 IonicContact NZ-OE1 2.68Å; K412-E416 PolarHBondContact O-N 3.43Å
413	E	97.1	Very high	97.3	Very high	56 Å²	56	68.4 Å²	68.4	26%	0.262	33%	0.329	S	S	.	.	H	α-helix	trans	-64.7	-37	179.3	-177.6	174.8	-148.9	0	0	111.7	A405 N410 K415 E416 Y417	A405-E413 HydrophobicContact CB-CB 4.34Å; A405-E413 HydrophobicContact CB-CG 3.8Å; N410-E413 HydrophobicContact CB-CB 3.98Å; N410-E413 VanDerWaalsContact ND2-CB 3.26Å; N410-E413 WeakPolarHBondContact ND2-CB 3.34Å; N410-E413 PolarHBondContact ND2-OE2 2.96Å; N410-E413 PolarHBondContact O-N 3.3Å; N410-E413 PolarHBondContact OD1-N 3.17Å; E413-K415 VanDerWaalsContact C-N 3.26Å; E413-K415 PolarHBondContact O-N 3.24Å; E413-E416 PolarHBondContact O-N 3.34Å; E413-E416 VanDerWaalsContact O-N 3.15Å; E413-Y417 HydrophobicContact CG-CD2 3.52Å; E413-Y417 HydrophobicContact CG-CE2 3.26Å; E413-Y417 WeakPolarHBondContact O-CD2 3.46Å; E413-Y417 PolarHBondContact O-N 2.88Å; E413-Y417 WeakPolarHBondContact OE1-CE2 3.29Å
414	V	97.9	Very high	97.2	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-59.8	-36.5	172.8	171.5	0	0	0	0	111.9	L402 A405 A406 N410 K412 A418 A466 L467 A470	L402-V414 HydrophobicContact CD1-CG1 3.94Å; A405-V414 HydrophobicContact CB-CG2 3.73Å; A405-V414 WeakPolarHBondContact O-CG2 3.38Å; A406-V414 HydrophobicContact CB-CG2 4.06Å; N410-V414 WeakPolarHBondContact O-CG2 3.41Å; N410-V414 PolarHBondContact O-N 3.17Å; K412-V414 VanDerWaalsContact C-N 3.32Å; K412-V414 PolarHBondContact O-N 2.7Å; V414-A418 WeakPolarHBondContact O-CB 3.34Å; V414-A418 PolarHBondContact O-N 2.87Å; V414-A466 HydrophobicContact CG1-CB 4.37Å; V414-L467 HydrophobicContact CG1-CD2 3.81Å; V414-L467 HydrophobicContact CG1-CG 4.32Å; V414-A470 HydrophobicContact CB-CB 4.36Å; V414-A470 HydrophobicContact CG1-CB 4.37Å; V414-A470 HydrophobicContact CG2-CB 3.83Å
415	K	96.7	Very high	97.2	Very high	127 Å²	127	64 Å²	64	55%	0.552	31%	0.309	S	S	*	.	H	α-helix	trans	-69.4	-38.4	176.2	-72.7	170	-176	170.1	0	112.1	E411 K412 E413 Q419 L467	E411-K415 WeakPolarHBondContact O-CG 3.35Å; E411-K415 PolarHBondContact O-N 3.02Å; K412-K415 WeakPolarHBondContact O-CB 3.29Å; K412-K415 PolarHBondContact O-N 2.61Å; K412-K415 VanDerWaalsContact O-N 3.12Å; E413-K415 VanDerWaalsContact C-N 3.26Å; E413-K415 PolarHBondContact O-N 3.24Å; K415-Q419 PolarHBondContact O-N 3.13Å; K415-L467 HydrophobicContact CG-CD2 4.39Å
416	E	97.7	Very high	97.2	Very high	104 Å²	104	67.8 Å²	67.8	49%	0.486	33%	0.328	S	S	.	.	H	α-helix	trans	-65.7	-50.8	176.2	-67.6	170.8	-174.7	0	0	110.3	K412 E413 A418 Q419 V420	K412-E416 VanDerWaalsContact CE-OE1 3.24Å; K412-E416 WeakPolarHBondContact CE-OE1 3.3Å; K412-E416 IonicContact NZ-OE1 2.68Å; K412-E416 PolarHBondContact O-N 3.43Å; E413-E416 PolarHBondContact O-N 3.34Å; E413-E416 VanDerWaalsContact O-N 3.15Å; E416-A418 VanDerWaalsContact C-N 3.32Å; E416-A418 PolarHBondContact O-N 3.03Å; E416-Q419 WeakPolarHBondContact O-CB 3.27Å; E416-Q419 PolarHBondContact O-N 3.41Å; E416-Q419 VanDerWaalsContact O-N 3.1Å; E416-V420 PolarHBondContact O-N 3.39Å
417	Y	98.1	Very high	97.1	Very high	78 Å²	78	69.8 Å²	69.8	31%	0.306	34%	0.337	S	S	.	.	H	α-helix	trans	-70.2	-24.7	176.5	-68.8	-53	0	0	0	114	V401 A405 E413 Q419 V420 F421	V401-Y417 HydrophobicContact CG1-CD1 3.56Å; V401-Y417 HydrophobicContact CG1-CD2 3.67Å; V401-Y417 HydrophobicContact CG1-CE1 3.36Å; V401-Y417 HydrophobicContact CG1-CE2 3.44Å; V401-Y417 VanDerWaalsContact CG1-CE2 3.44Å; V401-Y417 HydrophobicContact CG1-CG 3.74Å; A405-Y417 HydrophobicContact CB-CD2 3.85Å; A405-Y417 HydrophobicContact CB-CE2 4.3Å; E413-Y417 HydrophobicContact CG-CD2 3.52Å; E413-Y417 HydrophobicContact CG-CE2 3.26Å; E413-Y417 WeakPolarHBondContact O-CD2 3.46Å; E413-Y417 PolarHBondContact O-N 2.88Å; E413-Y417 WeakPolarHBondContact OE1-CE2 3.29Å; Y417-Q419 PolarHBondContact O-N 3.35Å; Y417-V420 HydrophobicContact CD1-CG2 4.45Å; Y417-V420 PolarHBondContact O-N 3.22Å; Y417-F421 VanDerWaalsContact O-CB 3.27Å; Y417-F421 WeakPolarHBondContact O-CB 3.26Å; Y417-F421 PolarHBondContact O-N 3.22Å
418	A	98.2	Very high	97.1	Very high	6 Å²	6	64.8 Å²	64.8	5%	0.05	32%	0.315	C	S	.	.	H	α-helix	trans	-64.9	-30.8	171.1	0	0	0	0	0	111.9	L402 V414 E416 R422 I463	L402-A418 HydrophobicContact CD1-CB 4.21Å; V414-A418 WeakPolarHBondContact O-CB 3.34Å; V414-A418 PolarHBondContact O-N 2.87Å; E416-A418 VanDerWaalsContact C-N 3.32Å; E416-A418 PolarHBondContact O-N 3.03Å; A418-R422 VanDerWaalsContact O-CB 3.31Å; A418-R422 WeakPolarHBondContact O-CB 3.37Å; A418-R422 PolarHBondContact O-N 2.98Å; A418-R422 VanDerWaalsContact O-N 3.09Å; A418-I463 HydrophobicContact CB-CD1 4.27Å; A418-I463 HydrophobicContact CB-CG1 4.14Å; A418-I463 HydrophobicContact CB-CG2 3.77Å
419	Q	98	Very high	97.1	Very high	115 Å²	115	61.8 Å²	61.8	54%	0.537	29%	0.294	S	S	.	.	H	α-helix	trans	-68.9	-49.8	171.6	-179.4	178.8	-16.5	0	0	110.5	K415 E416 Y417 F421 R422 E423	K415-Q419 PolarHBondContact O-N 3.13Å; E416-Q419 WeakPolarHBondContact O-CB 3.27Å; E416-Q419 PolarHBondContact O-N 3.41Å; E416-Q419 VanDerWaalsContact O-N 3.1Å; Y417-Q419 PolarHBondContact O-N 3.35Å; Q419-F421 VanDerWaalsContact C-N 3.31Å; Q419-F421 PolarHBondContact O-N 3.03Å; Q419-R422 WeakPolarHBondContact O-CB 3.34Å; Q419-R422 PolarHBondContact O-N 3.28Å; Q419-R422 VanDerWaalsContact O-N 3.08Å; Q419-E423 HydrophobicContact CG-CG 4.43Å; Q419-E423 VanDerWaalsContact CG-OE1 3.27Å; Q419-E423 WeakPolarHBondContact CG-OE1 3.26Å; Q419-E423 PolarHBondContact NE2-OE1 3.14Å; Q419-E423 WeakPolarHBondContact O-CG 3.31Å; Q419-E423 PolarHBondContact O-N 2.91Å
420	V	97.7	Very high	97.1	Very high	68 Å²	68	65.2 Å²	65.2	41%	0.412	30%	0.302	S	S	.	.	H	α-helix	trans	-56.8	-45.6	177.3	178.6	0	0	0	0	111.3	E416 Y417 R422 E423 H424	E416-V420 PolarHBondContact O-N 3.39Å; Y417-V420 HydrophobicContact CD1-CG2 4.45Å; Y417-V420 PolarHBondContact O-N 3.22Å; V420-R422 VanDerWaalsContact C-N 3.34Å; V420-R422 PolarHBondContact O-N 2.9Å; V420-E423 PolarHBondContact O-N 3.21Å; V420-H424 WeakPolarHBondContact O-CB 3.5Å; V420-H424 PolarHBondContact O-N 2.91Å
421	F	98.4	Very high	97.2	Very high	1 Å²	1	62 Å²	62	0%	0.004	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-40.7	176.7	176.5	-100.4	0	0	0	112.3	P398 L399 L402 Y417 Q419 H424 A425 C459 V462 I463 W489	P398-F421 HydrophobicContact CB-CB 4.42Å; P398-F421 HydrophobicContact CB-CD2 4.23Å; L399-F421 HydrophobicContact CB-CD2 4.28Å; L399-F421 HydrophobicContact CB-CE2 3.96Å; L399-F421 HydrophobicContact CD1-CE2 3.88Å; L399-F421 HydrophobicContact CD1-CZ 4.29Å; L402-F421 HydrophobicContact CD2-CB 4.16Å; L402-F421 HydrophobicContact CD2-CD1 4.14Å; L402-F421 HydrophobicContact CD2-CD2 4.46Å; L402-F421 HydrophobicContact CD2-CG 3.99Å; Y417-F421 VanDerWaalsContact O-CB 3.27Å; Y417-F421 WeakPolarHBondContact O-CB 3.26Å; Y417-F421 PolarHBondContact O-N 3.22Å; Q419-F421 VanDerWaalsContact C-N 3.31Å; Q419-F421 PolarHBondContact O-N 3.03Å; F421-H424 PolarHBondContact O-N 3.08Å; F421-A425 WeakPolarHBondContact O-CB 3.31Å; F421-A425 PolarHBondContact O-N 2.87Å; F421-C459 HydrophobicContact CE1-CB 4.48Å; F421-V462 HydrophobicContact CE1-CB 3.94Å; F421-V462 HydrophobicContact CE1-CG1 3.92Å; F421-V462 HydrophobicContact CE2-CG1 4.41Å; F421-V462 HydrophobicContact CZ-CB 3.99Å; F421-V462 HydrophobicContact CZ-CG1 3.7Å; F421-V462 HydrophobicContact CZ-CG2 4.35Å; F421-I463 HydrophobicContact CD1-CD1 4.13Å; F421-I463 HydrophobicContact CD1-CG1 3.83Å; F421-I463 HydrophobicContact CE1-CG1 4.23Å; F421-W489 HydrophobicContact CE1-CH2 4.23Å; F421-W489 HydrophobicContact CE1-CZ2 4.36Å; F421-W489 HydrophobicContact CE1-CZ3 4.36Å; F421-W489 HydrophobicContact CE2-CD2 4.12Å; F421-W489 AromaticContact CE2-CE2 3.53Å; F421-W489 HydrophobicContact CE2-CH2 4.32Å; F421-W489 AromaticContact CE2-CZ2 3.65Å; F421-W489 HydrophobicContact CE2-CZ2 3.65Å; F421-W489 AromaticContact CE2-NE1 3.71Å; F421-W489 AromaticContact CZ-CD2 3.6Å; F421-W489 HydrophobicContact CZ-CD2 3.6Å; F421-W489 AromaticContact CZ-CE2 3.4Å; F421-W489 AromaticContact CZ-CE3 3.83Å; F421-W489 HydrophobicContact CZ-CE3 3.83Å; F421-W489 HydrophobicContact CZ-CG 4.3Å; F421-W489 AromaticContact CZ-CH2 3.69Å; F421-W489 HydrophobicContact CZ-CH2 3.69Å; F421-W489 AromaticContact CZ-CZ2 3.45Å; F421-W489 HydrophobicContact CZ-CZ2 3.45Å; F421-W489 VanDerWaalsContact CZ-CZ2 3.45Å; F421-W489 AromaticContact CZ-CZ3 3.88Å; F421-W489 HydrophobicContact CZ-CZ3 3.88Å; F421-W489 AromaticContact CZ-NE1 3.99Å
422	R	98.3	Very high	97.4	Very high	132 Å²	132	57.5 Å²	57.5	50%	0.498	26%	0.264	S	S	.	.	H	α-helix	trans	-68	-42.3	177	-173.7	-175.4	-57	165.7	5.3	112.1	A418 Q419 V420 H424 A425 N426 I463	A418-R422 VanDerWaalsContact O-CB 3.31Å; A418-R422 WeakPolarHBondContact O-CB 3.37Å; A418-R422 PolarHBondContact O-N 2.98Å; A418-R422 VanDerWaalsContact O-N 3.09Å; Q419-R422 WeakPolarHBondContact O-CB 3.34Å; Q419-R422 PolarHBondContact O-N 3.28Å; Q419-R422 VanDerWaalsContact O-N 3.08Å; V420-R422 VanDerWaalsContact C-N 3.34Å; V420-R422 PolarHBondContact O-N 2.9Å; R422-H424 VanDerWaalsContact C-N 3.32Å; R422-A425 PolarHBondContact O-N 3.06Å; R422-N426 WeakPolarHBondContact O-CB 3.38Å; R422-N426 PolarHBondContact O-N 3.32Å; R422-N426 PolarHBondContact O-ND2 3.43Å; R422-N426 PolarHBondContact O-OD1 2.87Å; R422-I463 HydrophobicContact CB-CD1 4.35Å
423	E	97.4	Very high	97.3	Very high	103 Å²	103	53.5 Å²	53.5	48%	0.481	25%	0.25	S	C	.	.	H	α-helix	trans	-61	-43.9	175.8	-72.9	169.6	-174.8	0	0	110.7	Q419 V420 N426 K427	Q419-E423 HydrophobicContact CG-CG 4.43Å; Q419-E423 VanDerWaalsContact CG-OE1 3.27Å; Q419-E423 WeakPolarHBondContact CG-OE1 3.26Å; Q419-E423 PolarHBondContact NE2-OE1 3.14Å; Q419-E423 WeakPolarHBondContact O-CG 3.31Å; Q419-E423 PolarHBondContact O-N 2.91Å; V420-E423 PolarHBondContact O-N 3.21Å; E423-N426 PolarHBondContact O-N 3.42Å; E423-K427 WeakPolarHBondContact O-CB 3.44Å; E423-K427 PolarHBondContact O-N 3Å
424	H	97.3	Very high	97.2	Very high	34 Å²	34	52.5 Å²	52.5	16%	0.157	25%	0.246	C	C	.	.	H	α-helix	trans	-62.8	-45.5	174.1	178.5	-100.3	0	0	0	112.6	T395 P398 V420 F421 R422 N426 K427 L428	T395-H424 PolarHBondContact O-CE1 3.01Å; T395-H424 VanDerWaalsContact O-CE1 3.23Å; P398-H424 HydrophobicContact CB-CB 4.32Å; P398-H424 HydrophobicContact CG-CB 3.95Å; V420-H424 WeakPolarHBondContact O-CB 3.5Å; V420-H424 PolarHBondContact O-N 2.91Å; F421-H424 PolarHBondContact O-N 3.08Å; R422-H424 VanDerWaalsContact C-N 3.32Å; H424-N426 VanDerWaalsContact C-N 3.34Å; H424-N426 PolarHBondContact O-N 3.21Å; H424-K427 PolarHBondContact O-N 3.41Å; H424-K427 VanDerWaalsContact O-N 3.15Å; H424-L428 WeakPolarHBondContact O-CG 3.26Å; H424-L428 PolarHBondContact O-N 2.95Å
425	A	98.1	Very high	97.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57	-47	174.8	0	0	0	0	0	112.2	F421 R422 K427 L428 V429 I455 C459 W489	F421-A425 WeakPolarHBondContact O-CB 3.31Å; F421-A425 PolarHBondContact O-N 2.87Å; R422-A425 PolarHBondContact O-N 3.06Å; A425-K427 VanDerWaalsContact C-N 3.3Å; A425-K427 PolarHBondContact O-N 3.22Å; A425-L428 PolarHBondContact O-N 3.38Å; A425-V429 WeakPolarHBondContact O-CG2 3.45Å; A425-V429 PolarHBondContact O-N 3.28Å; A425-V429 VanDerWaalsContact O-N 3.13Å; A425-I455 HydrophobicContact CB-CG2 4.48Å; A425-C459 HydrophobicContact CB-CB 4.16Å; A425-W489 HydrophobicContact CB-CH2 3.57Å; A425-W489 HydrophobicContact CB-CZ2 4.17Å
426	N	97.6	Very high	97.1	Very high	82 Å²	82	46.5 Å²	46.5	44%	0.439	22%	0.22	S	C	.	.	H	α-helix	trans	-61.5	-39.9	176.7	-69.3	-11.2	0	0	0	111	R422 E423 H424 V429 E430	R422-N426 WeakPolarHBondContact O-CB 3.38Å; R422-N426 PolarHBondContact O-N 3.32Å; R422-N426 PolarHBondContact O-ND2 3.43Å; R422-N426 PolarHBondContact O-OD1 2.87Å; E423-N426 PolarHBondContact O-N 3.42Å; H424-N426 VanDerWaalsContact C-N 3.34Å; H424-N426 PolarHBondContact O-N 3.21Å; N426-V429 PolarHBondContact O-N 2.97Å; N426-E430 WeakPolarHBondContact O-CB 3.44Å; N426-E430 PolarHBondContact O-N 2.85Å
427	K	95.9	Very high	97	Very high	42 Å²	42	42.6 Å²	42.6	18%	0.183	21%	0.205	C	C	.	.	H	α-helix	trans	-65.6	-41.3	177.9	-174.1	61.8	-175.3	175.2	0	112.2	C322 S391 E423 H424 A425 V429 E430 V431	C322-K427 VanDerWaalsContact SG-CE 3.57Å; S391-K427 WeakPolarHBondContact OG-CE 3.44Å; E423-K427 WeakPolarHBondContact O-CB 3.44Å; E423-K427 PolarHBondContact O-N 3Å; H424-K427 PolarHBondContact O-N 3.41Å; H424-K427 VanDerWaalsContact O-N 3.15Å; A425-K427 VanDerWaalsContact C-N 3.3Å; A425-K427 PolarHBondContact O-N 3.22Å; K427-V429 VanDerWaalsContact C-N 3.31Å; K427-V429 PolarHBondContact O-N 3.45Å; K427-E430 IonicContact NZ-OE1 2.67Å; K427-E430 PolarHBondContact NZ-OE1 2.85Å; K427-E430 PolarHBondContact O-N 3.23Å; K427-V431 HydrophobicContact CD-CG2 4.12Å; K427-V431 HydrophobicContact CG-CG2 4.44Å; K427-V431 WeakPolarHBondContact O-CG2 3.23Å; K427-V431 PolarHBondContact O-N 2.93Å
428	L	97.7	Very high	96.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.2	-44.7	173.9	-68.2	177.6	0	0	0	111.5	S391 F392 T395 H424 A425 A432 V493 L496	S391-L428 VanDerWaalsContact O-CD2 3.25Å; S391-L428 WeakPolarHBondContact O-CD2 3.41Å; F392-L428 HydrophobicContact CD1-CD2 3.88Å; F392-L428 HydrophobicContact CD2-CD2 4.21Å; F392-L428 HydrophobicContact CE1-CD2 3.89Å; F392-L428 HydrophobicContact CE2-CD2 4.2Å; F392-L428 HydrophobicContact CG-CD2 4.06Å; F392-L428 HydrophobicContact CZ-CB 4.46Å; F392-L428 HydrophobicContact CZ-CD2 4.05Å; T395-L428 HydrophobicContact CG2-CD2 4.15Å; H424-L428 WeakPolarHBondContact O-CG 3.26Å; H424-L428 PolarHBondContact O-N 2.95Å; A425-L428 PolarHBondContact O-N 3.38Å; L428-A432 VanDerWaalsContact O-CB 3.26Å; L428-A432 WeakPolarHBondContact O-CB 3.37Å; L428-A432 PolarHBondContact O-N 3.48Å; L428-V493 HydrophobicContact CD1-CG1 4.48Å; L428-V493 HydrophobicContact CD1-CG2 4.31Å; L428-L496 HydrophobicContact CB-CD2 4.25Å
429	V	97.7	Very high	96.5	Very high	12 Å²	12	40.5 Å²	40.5	7%	0.073	20%	0.198	C	C	.	.	H	α-helix	trans	-67.3	-42.4	178.4	168.8	0	0	0	0	111.7	A425 N426 K427 A432 N433 A452 I455	A425-V429 WeakPolarHBondContact O-CG2 3.45Å; A425-V429 PolarHBondContact O-N 3.28Å; A425-V429 VanDerWaalsContact O-N 3.13Å; N426-V429 PolarHBondContact O-N 2.97Å; K427-V429 VanDerWaalsContact C-N 3.31Å; K427-V429 PolarHBondContact O-N 3.45Å; V429-A432 PolarHBondContact O-N 3.4Å; V429-N433 WeakPolarHBondContact CG1-ND2 3.21Å; V429-N433 WeakPolarHBondContact O-CB 3.2Å; V429-N433 PolarHBondContact O-N 2.85Å; V429-N433 PolarHBondContact O-ND2 2.88Å; V429-A452 HydrophobicContact CG1-CB 4.24Å; V429-A452 HydrophobicContact CG2-CB 4.25Å; V429-I455 HydrophobicContact CG2-CB 4.08Å; V429-I455 HydrophobicContact CG2-CG2 3.73Å
430	E	95.7	Very high	96.1	Very high	99 Å²	99	39.2 Å²	39.2	46%	0.463	20%	0.195	S	C	.	.	H	α-helix	trans	-57.4	-50.9	175.1	-177.8	-164	125.5	0	0	111	N426 K427 N433 L434	N426-E430 WeakPolarHBondContact O-CB 3.44Å; N426-E430 PolarHBondContact O-N 2.85Å; K427-E430 IonicContact NZ-OE1 2.67Å; K427-E430 PolarHBondContact NZ-OE1 2.85Å; K427-E430 PolarHBondContact O-N 3.23Å; E430-N433 PolarHBondContact O-N 3.03Å; E430-L434 WeakPolarHBondContact O-CB 3.28Å; E430-L434 PolarHBondContact O-N 2.94Å
431	V	96.3	Very high	95.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-68.4	-37.6	-178.7	175.1	0	0	0	0	111.9	H387 I388 S391 F392 K427 N433 L434 A435	H387-V431 HydrophobicContact CB-CB 4.49Å; H387-V431 HydrophobicContact CB-CG1 3.79Å; H387-V431 HydrophobicContact CB-CG2 3.87Å; I388-V431 HydrophobicContact CB-CG1 4.43Å; I388-V431 HydrophobicContact CG1-CG1 3.66Å; S391-V431 WeakPolarHBondContact OG-CG2 3.49Å; F392-V431 HydrophobicContact CD2-CG1 4.28Å; F392-V431 HydrophobicContact CE2-CB 4.11Å; F392-V431 HydrophobicContact CE2-CG1 3.83Å; K427-V431 HydrophobicContact CD-CG2 4.12Å; K427-V431 HydrophobicContact CG-CG2 4.44Å; K427-V431 WeakPolarHBondContact O-CG2 3.23Å; K427-V431 PolarHBondContact O-N 2.93Å; V431-N433 VanDerWaalsContact C-N 3.34Å; V431-N433 PolarHBondContact O-N 3.25Å; V431-L434 WeakPolarHBondContact O-CB 3.36Å; V431-L434 PolarHBondContact O-N 3.34Å; V431-A435 PolarHBondContact O-N 2.96Å
432	A	97.4	Very high	95.4	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61	-42.9	173.3	0	0	0	0	0	112.1	F392 L428 V429 L434 A435 C436 V448 L496 V500	F392-A432 HydrophobicContact CZ-CB 4.45Å; L428-A432 VanDerWaalsContact O-CB 3.26Å; L428-A432 WeakPolarHBondContact O-CB 3.37Å; L428-A432 PolarHBondContact O-N 3.48Å; V429-A432 PolarHBondContact O-N 3.4Å; A432-L434 VanDerWaalsContact C-N 3.34Å; A432-A435 PolarHBondContact O-N 3.03Å; A432-C436 PolarHBondContact O-N 3.4Å; A432-C436 PolarHBondContact O-SG 3.35Å; A432-V448 HydrophobicContact CB-CG1 3.76Å; A432-L496 HydrophobicContact CB-CD1 3.76Å; A432-L496 HydrophobicContact CB-CD2 4.34Å; A432-L496 HydrophobicContact CB-CG 4.36Å; A432-V500 HydrophobicContact CB-CG2 3.81Å
433	N	95.3	Very high	94.8	Very high	64 Å²	64	43.5 Å²	43.5	34%	0.342	22%	0.219	S	C	.	.	H	α-helix	trans	-69.8	-32.6	175.4	-74.5	-50	0	0	0	112.3	V429 E430 V431 C436 S437	V429-N433 WeakPolarHBondContact CG1-ND2 3.21Å; V429-N433 WeakPolarHBondContact O-CB 3.2Å; V429-N433 PolarHBondContact O-N 2.85Å; V429-N433 PolarHBondContact O-ND2 2.88Å; E430-N433 PolarHBondContact O-N 3.03Å; V431-N433 VanDerWaalsContact C-N 3.34Å; V431-N433 PolarHBondContact O-N 3.25Å; N433-C436 WeakPolarHBondContact O-CB 3.31Å; N433-C436 PolarHBondContact O-N 2.87Å; N433-S437 PolarHBondContact O-N 3.33Å
434	L	95.1	Very high	94.6	Very high	35 Å²	35	39 Å²	39	18%	0.183	20%	0.199	C	C	.	.	H	α-helix	trans	-64	-44.2	172.8	-174.4	67	0	0	0	110.9	M317 V384 H387 E430 V431 A432 C436 S437	M317-L434 HydrophobicContact CG-CD1 4.19Å; M317-L434 HydrophobicContact CG-CD2 4.05Å; M317-L434 HydrophobicContact SD-CD1 3.77Å; M317-L434 HydrophobicContact SD-CD2 3.89Å; M317-L434 HydrophobicContact SD-CG 4Å; V384-L434 HydrophobicContact CG2-CD2 4.13Å; V384-L434 HydrophobicContact CG2-CG 3.83Å; H387-L434 HydrophobicContact CB-CD2 4.35Å; H387-L434 WeakPolarHBondContact ND1-CD2 3.49Å; E430-L434 WeakPolarHBondContact O-CB 3.28Å; E430-L434 PolarHBondContact O-N 2.94Å; V431-L434 WeakPolarHBondContact O-CB 3.36Å; V431-L434 PolarHBondContact O-N 3.34Å; A432-L434 VanDerWaalsContact C-N 3.34Å; L434-C436 VanDerWaalsContact C-N 3.3Å; L434-C436 PolarHBondContact O-N 3.39Å; L434-S437 WeakPolarHBondContact O-CB 3.46Å; L434-S437 PolarHBondContact O-N 3.33Å; L434-S437 PolarHBondContact O-OG 3.49Å
435	A	96.1	Very high	94.4	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-59.9	-41.2	172.8	0	0	0	0	0	112.1	V384 I388 V431 A432 S437 I438 S439 V500 I503 T504	V384-A435 HydrophobicContact CG1-CB 3.8Å; I388-A435 HydrophobicContact CD1-CB 4.11Å; V431-A435 PolarHBondContact O-N 2.96Å; A432-A435 PolarHBondContact O-N 3.03Å; A435-S437 VanDerWaalsContact C-N 3.27Å; A435-S437 PolarHBondContact O-N 3.2Å; A435-I438 WeakPolarHBondContact O-CG1 3.36Å; A435-S439 PolarHBondContact O-N 3.32Å; A435-V500 HydrophobicContact CB-CG1 4.2Å; A435-I503 HydrophobicContact CB-CD1 4.08Å; A435-T504 HydrophobicContact CB-CG2 4.43Å
436	C	95.9	Very high	94	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.8	-39.2	172.7	-67.4	0	0	0	0	112.3	G274 A432 N433 L434 I438 S439 V445 V448	G274-C436 WeakPolarHBondContact CA-O 3.25Å; A432-C436 PolarHBondContact O-N 3.4Å; A432-C436 PolarHBondContact O-SG 3.35Å; N433-C436 WeakPolarHBondContact O-CB 3.31Å; N433-C436 PolarHBondContact O-N 2.87Å; L434-C436 VanDerWaalsContact C-N 3.3Å; L434-C436 PolarHBondContact O-N 3.39Å; C436-I438 PolarHBondContact O-N 2.95Å; C436-I438 VanDerWaalsContact O-N 3.17Å; C436-S439 PolarHBondContact O-N 3.06Å; C436-V445 HydrophobicContact CB-CG1 4.02Å; C436-V445 HydrophobicContact CB-CG2 4.19Å; C436-V448 VanDerWaalsContact SG-CB 3.56Å; C436-V448 WeakPolarHBondContact SG-CG1 3.42Å
437	S	94	Very high	93.7	Very high	23 Å²	23	39.9 Å²	39.9	16%	0.161	20%	0.203	C	C	.	.	H	α-helix	trans	-61.5	-26.8	-172.1	78.9	0	0	0	0	114.1	G274 E275 L276 A277 N433 L434 A435	G274-S437 CarbonylContact C-O 3.59Å; G274-S437 VanDerWaalsContact C-O 3.23Å; G274-S437 WeakPolarHBondContact CA-O 3.42Å; E275-S437 PolarHBondContact N-O 3.33Å; L276-S437 CarbonylContact C-O 3Å; L276-S437 WeakPolarHBondContact CA-O 3.42Å; L276-S437 WeakPolarHBondContact CB-O 3.5Å; L276-S437 PolarHBondContact N-O 3.46Å; A277-S437 PolarHBondContact N-O 3.47Å; N433-S437 PolarHBondContact O-N 3.33Å; L434-S437 WeakPolarHBondContact O-CB 3.46Å; L434-S437 PolarHBondContact O-N 3.33Å; L434-S437 PolarHBondContact O-OG 3.49Å; A435-S437 VanDerWaalsContact C-N 3.27Å; A435-S437 PolarHBondContact O-N 3.2Å
438	I	93	Very high	93.8	Very high	29 Å²	29	37.9 Å²	37.9	15%	0.149	19%	0.194	C	C	.	.	H	α-helix	trans	-107.4	-1.4	-178	56.4	156.5	0	0	0	113.7	L276 L380 R381 V384 A435 C436	L276-I438 HydrophobicContact CD2-CG2 4.05Å; L380-I438 HydrophobicContact CB-CG2 4.48Å; R381-I438 HydrophobicContact CB-CD1 4.28Å; R381-I438 HydrophobicContact CG-CD1 3.96Å; V384-I438 HydrophobicContact CB-CD1 3.6Å; V384-I438 HydrophobicContact CG1-CD1 3.97Å; V384-I438 HydrophobicContact CG2-CD1 3.29Å; V384-I438 HydrophobicContact CG2-CG1 3.86Å; V384-I438 HydrophobicContact CG2-CG2 4.47Å; A435-I438 WeakPolarHBondContact O-CG1 3.36Å; C436-I438 PolarHBondContact O-N 2.95Å; C436-I438 VanDerWaalsContact O-N 3.17Å
439	S	93.7	Very high	93.6	Very high	11 Å²	11	40.1 Å²	40.1	8%	0.077	20%	0.203	C	C	.	.			trans	-88.5	140.9	-178.3	-170.6	0	0	0	0	112.3	G274 A277 A435 C436 N441	G274-S439 PolarHBondContact N-O 3.18Å; A277-S439 WeakPolarHBondContact CB-O 3.22Å; A435-S439 PolarHBondContact O-N 3.32Å; C436-S439 PolarHBondContact O-N 3.06Å; S439-N441 PolarHBondContact OG-N 2.87Å
440	N	90.4	Very high	93.3	Very high	88 Å²	88	42.8 Å²	42.8	47%	0.471	22%	0.215	S	C	.	.			trans	-93.1	-2.4	170.4	-68.8	-57	0	0	0	112.7	I273 N281 E442	I273-N440 VanDerWaalsContact CG2-O 3.29Å; I273-N440 WeakPolarHBondContact CG2-O 3.35Å; N281-N440 PolarHBondContact ND2-OD1 3.47Å; N440-E442 PolarHBondContact O-N 3.25Å
441	N	90.8	Very high	93.3	Very high	72 Å²	72	38.2 Å²	38.2	39%	0.385	20%	0.195	S	C	.	.			trans	-84.5	94.9	-179.3	-176.3	-8.2	0	0	0	110.2	S439 G444 V445 I503	S439-N441 PolarHBondContact OG-N 2.87Å; N441-G444 PolarHBondContact O-N 2.78Å; N441-G444 PolarHBondContact OD1-N 3.07Å; N441-V445 WeakPolarHBondContact O-CB 3.49Å; N441-V445 WeakPolarHBondContact O-CG2 3.46Å; N441-V445 PolarHBondContact O-N 3.09Å; N441-I503 HydrophobicContact CB-CG2 4.28Å
442	E	89.2	Confident	93.4	Very high	98 Å²	98	38.3 Å²	38.3	46%	0.458	20%	0.195	S	C	.	.	H	α-helix	trans	-60.1	-47.7	-176.8	178.4	168.3	-164.7	0	0	113.3	G272 I273 N440 V445 K446	G272-E442 WeakPolarHBondContact CA-OE1 3.35Å; G272-E442 PolarHBondContact N-OE1 3.33Å; I273-E442 HydrophobicContact CG2-CB 4.3Å; N440-E442 PolarHBondContact O-N 3.25Å; E442-V445 PolarHBondContact O-N 3.16Å; E442-K446 PolarHBondContact O-N 3.46Å
443	E	87.3	Confident	93.3	Very high	121 Å²	121	41.6 Å²	41.6	57%	0.565	22%	0.215	S	C	*	.	H	α-helix	trans	-65.9	-41.5	178.9	-71.1	-62.9	158	0	0	111.3	K446 L447	E443-K446 WeakPolarHBondContact O-CB 3.5Å; E443-K446 PolarHBondContact O-N 2.88Å; E443-L447 WeakPolarHBondContact O-CG 3.36Å; E443-L447 PolarHBondContact O-N 3.42Å
444	G	91.8	Very high	93.2	Very high	7 Å²	7	42 Å²	42	7%	0.072	22%	0.215	C	C	.	.	H	α-helix	trans	-62.9	-44.1	175	0	0	0	0	0	112.8	N441 K446 L447 V448 I503	N441-G444 PolarHBondContact O-N 2.78Å; N441-G444 PolarHBondContact OD1-N 3.07Å; G444-K446 VanDerWaalsContact C-N 3.28Å; G444-K446 PolarHBondContact O-N 3.26Å; G444-L447 PolarHBondContact O-N 2.94Å; G444-L447 VanDerWaalsContact O-N 3.13Å; G444-V448 WeakPolarHBondContact O-CG2 3.44Å; G444-V448 PolarHBondContact O-N 2.96Å; G444-I503 VanDerWaalsContact C-CG2 3.45Å; G444-I503 VanDerWaalsContact CA-CG2 3.44Å
445	V	93.2	Very high	93.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-57.7	-42.9	175.3	164.9	0	0	0	0	110.9	C436 N441 E442 V448 R449	C436-V445 HydrophobicContact CB-CG1 4.02Å; C436-V445 HydrophobicContact CB-CG2 4.19Å; N441-V445 WeakPolarHBondContact O-CB 3.49Å; N441-V445 WeakPolarHBondContact O-CG2 3.46Å; N441-V445 PolarHBondContact O-N 3.09Å; E442-V445 PolarHBondContact O-N 3.16Å; V445-V448 PolarHBondContact O-N 3.44Å; V445-R449 HydrophobicContact CG1-CG 4.43Å; V445-R449 WeakPolarHBondContact O-CB 3.32Å; V445-R449 VanDerWaalsContact O-CG 3.32Å; V445-R449 WeakPolarHBondContact O-CG 3.17Å; V445-R449 PolarHBondContact O-N 3.28Å
446	K	89.9	Confident	93.4	Very high	40 Å²	40	43.8 Å²	43.8	17%	0.174	23%	0.225	C	C	.	.	H	α-helix	trans	-59.5	-47.2	175.3	176.5	-177.6	174.7	-178.4	0	111.6	D265 H270 E442 E443 G444 V448 R449 M450	D265-K446 WeakPolarHBondContact OD2-CE 3.44Å; D265-K446 IonicContact OD2-NZ 2.66Å; D265-K446 PolarHBondContact OD2-NZ 3.3Å; H270-K446 HydrophobicContact CB-CG 4.29Å; H270-K446 WeakPolarHBondContact O-CB 3.06Å; E442-K446 PolarHBondContact O-N 3.46Å; E443-K446 WeakPolarHBondContact O-CB 3.5Å; E443-K446 PolarHBondContact O-N 2.88Å; G444-K446 VanDerWaalsContact C-N 3.28Å; G444-K446 PolarHBondContact O-N 3.26Å; K446-V448 PolarHBondContact O-N 2.92Å; K446-R449 PolarHBondContact O-N 3.5Å; K446-M450 HydrophobicContact CG-SD 4.04Å; K446-M450 WeakPolarHBondContact O-CB 3.37Å; K446-M450 VanDerWaalsContact O-CG 3.27Å; K446-M450 WeakPolarHBondContact O-CG 3.2Å; K446-M450 PolarHBondContact O-N 3.47Å
447	L	92.3	Very high	93.5	Very high	96 Å²	96	45.5 Å²	45.5	50%	0.503	24%	0.237	S	C	.	.	H	α-helix	trans	-61.1	-44	178.7	-68.6	176	0	0	0	112.3	E443 G444 M450 A451	E443-L447 WeakPolarHBondContact O-CG 3.36Å; E443-L447 PolarHBondContact O-N 3.42Å; G444-L447 PolarHBondContact O-N 2.94Å; G444-L447 VanDerWaalsContact O-N 3.13Å; L447-M450 PolarHBondContact O-N 2.9Å; L447-A451 WeakPolarHBondContact O-CB 3.35Å; L447-A451 PolarHBondContact O-N 3.45Å
448	V	96.2	Very high	93.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-48.3	176.8	175.2	0	0	0	0	111.2	A432 C436 G444 V445 K446 M450 A451 A452 L496 A499 V500 I503	A432-V448 HydrophobicContact CB-CG1 3.76Å; C436-V448 VanDerWaalsContact SG-CB 3.56Å; C436-V448 WeakPolarHBondContact SG-CG1 3.42Å; G444-V448 WeakPolarHBondContact O-CG2 3.44Å; G444-V448 PolarHBondContact O-N 2.96Å; V445-V448 PolarHBondContact O-N 3.44Å; K446-V448 PolarHBondContact O-N 2.92Å; V448-M450 VanDerWaalsContact C-N 3.3Å; V448-M450 PolarHBondContact O-N 3.33Å; V448-A451 PolarHBondContact O-N 3.11Å; V448-A451 VanDerWaalsContact O-N 3.15Å; V448-A452 WeakPolarHBondContact O-CB 3.43Å; V448-A452 PolarHBondContact O-N 3.24Å; V448-L496 HydrophobicContact CG1-CD1 4.21Å; V448-A499 HydrophobicContact CG2-CB 3.72Å; V448-A499 WeakPolarHBondContact CG2-O 3.5Å; V448-V500 HydrophobicContact CG1-CG2 3.84Å; V448-V500 HydrophobicContact CG2-CG2 4.2Å; V448-I503 HydrophobicContact CG2-CD1 3.84Å; V448-I503 HydrophobicContact CG2-CG1 4.14Å; V448-I503 HydrophobicContact CG2-CG2 4.43Å
449	R	94.7	Very high	93.9	Very high	46 Å²	46	43.5 Å²	43.5	17%	0.174	23%	0.225	C	C	.	.	H	α-helix	trans	-61.6	-38.1	179	-71.7	179.1	178.4	-139.2	-4.5	112.2	G269 H270 V445 K446 T453	G269-R449 PolarHBondContact O-NH1 3.21Å; H270-R449 HydrophobicContact CB-CB 4.44Å; V445-R449 HydrophobicContact CG1-CG 4.43Å; V445-R449 WeakPolarHBondContact O-CB 3.32Å; V445-R449 VanDerWaalsContact O-CG 3.32Å; V445-R449 WeakPolarHBondContact O-CG 3.17Å; V445-R449 PolarHBondContact O-N 3.28Å; K446-R449 PolarHBondContact O-N 3.5Å; R449-T453 WeakPolarHBondContact O-CB 3.38Å; R449-T453 PolarHBondContact O-N 3.37Å; R449-T453 PolarHBondContact O-OG1 3.39Å
450	M	91.8	Very high	94.1	Very high	69 Å²	69	45.6 Å²	45.6	34%	0.34	24%	0.238	S	C	.	.	H	α-helix	trans	-65.1	-44.4	174	-73.7	175.8	60.8	0	0	111.9	K446 L447 V448 T453 Q454	K446-M450 HydrophobicContact CG-SD 4.04Å; K446-M450 WeakPolarHBondContact O-CB 3.37Å; K446-M450 VanDerWaalsContact O-CG 3.27Å; K446-M450 WeakPolarHBondContact O-CG 3.2Å; K446-M450 PolarHBondContact O-N 3.47Å; L447-M450 PolarHBondContact O-N 2.9Å; V448-M450 VanDerWaalsContact C-N 3.3Å; V448-M450 PolarHBondContact O-N 3.33Å; M450-T453 PolarHBondContact O-N 3.06Å; M450-Q454 WeakPolarHBondContact O-CG 3.33Å; M450-Q454 PolarHBondContact O-N 3.19Å; M450-Q454 VanDerWaalsContact O-N 3.13Å
451	A	95.5	Very high	94.5	Very high	3 Å²	3	42.2 Å²	42.2	3%	0.025	22%	0.22	C	C	.	.	H	α-helix	trans	-65	-40.3	177.3	0	0	0	0	0	111.8	L447 V448 Q454 I455 V495 L496	L447-A451 WeakPolarHBondContact O-CB 3.35Å; L447-A451 PolarHBondContact O-N 3.45Å; V448-A451 PolarHBondContact O-N 3.11Å; V448-A451 VanDerWaalsContact O-N 3.15Å; A451-Q454 WeakPolarHBondContact O-CB 3.48Å; A451-Q454 PolarHBondContact O-N 3.14Å; A451-I455 PolarHBondContact O-N 3.46Å; A451-V495 HydrophobicContact CB-CG1 4.21Å; A451-L496 HydrophobicContact CB-CB 4.13Å; A451-L496 HydrophobicContact CB-CD1 3.79Å
452	A	97.1	Very high	94.8	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.017	20%	0.201	C	C	.	.	H	α-helix	trans	-64	-45.1	176.7	0	0	0	0	0	111.8	V429 V448 Q454 I455 D456 L496	V429-A452 HydrophobicContact CG1-CB 4.24Å; V429-A452 HydrophobicContact CG2-CB 4.25Å; V448-A452 WeakPolarHBondContact O-CB 3.43Å; V448-A452 PolarHBondContact O-N 3.24Å; A452-Q454 PolarHBondContact O-N 3.45Å; A452-I455 WeakPolarHBondContact O-CB 3.31Å; A452-I455 PolarHBondContact O-N 3.44Å; A452-D456 PolarHBondContact O-N 3.36Å; A452-L496 HydrophobicContact CB-CD1 4.17Å
453	T	95.2	Very high	95.3	Very high	68 Å²	68	34.6 Å²	34.6	42%	0.417	18%	0.182	S	C	.	.	H	α-helix	trans	-59.6	-36.3	174.8	-56.9	0	0	0	0	111.6	R449 M450 D456 S457	R449-T453 WeakPolarHBondContact O-CB 3.38Å; R449-T453 PolarHBondContact O-N 3.37Å; R449-T453 PolarHBondContact O-OG1 3.39Å; M450-T453 PolarHBondContact O-N 3.06Å; T453-D456 PolarHBondContact O-N 2.89Å; T453-S457 WeakPolarHBondContact O-CB 3.36Å; T453-S457 PolarHBondContact O-N 3.1Å
454	Q	95.1	Very high	95.8	Very high	72 Å²	72	30.2 Å²	30.2	34%	0.336	16%	0.163	S	C	.	.	H	α-helix	trans	-67.4	-39.7	175	-74.2	-176.7	57.1	0	0	112.2	M450 A451 A452 S457 L458 Q492	M450-Q454 WeakPolarHBondContact O-CG 3.33Å; M450-Q454 PolarHBondContact O-N 3.19Å; M450-Q454 VanDerWaalsContact O-N 3.13Å; A451-Q454 WeakPolarHBondContact O-CB 3.48Å; A451-Q454 PolarHBondContact O-N 3.14Å; A452-Q454 PolarHBondContact O-N 3.45Å; Q454-S457 PolarHBondContact O-N 2.81Å; Q454-S457 PolarHBondContact O-OG 2.88Å; Q454-L458 VanDerWaalsContact O-CB 3.23Å; Q454-L458 WeakPolarHBondContact O-CB 3.45Å; Q454-L458 PolarHBondContact O-N 3.21Å; Q454-Q492 HydrophobicContact CB-CG 3.92Å
455	I	97.9	Very high	96.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.3	-49.5	173	-70.7	-64.6	0	0	0	111	A425 V429 A451 A452 S457 L458 C459 W489 Q492 V493 L496	A425-I455 HydrophobicContact CB-CG2 4.48Å; V429-I455 HydrophobicContact CG2-CB 4.08Å; V429-I455 HydrophobicContact CG2-CG2 3.73Å; A451-I455 PolarHBondContact O-N 3.46Å; A452-I455 WeakPolarHBondContact O-CB 3.31Å; A452-I455 PolarHBondContact O-N 3.44Å; I455-S457 VanDerWaalsContact C-N 3.28Å; I455-S457 PolarHBondContact O-N 3.24Å; I455-L458 PolarHBondContact O-N 2.86Å; I455-L458 VanDerWaalsContact O-N 3.14Å; I455-C459 WeakPolarHBondContact O-CB 3.38Å; I455-C459 PolarHBondContact O-N 3.13Å; I455-W489 HydrophobicContact CD1-CE3 4.4Å; I455-W489 HydrophobicContact CD1-CH2 4.27Å; I455-W489 HydrophobicContact CD1-CZ3 4.15Å; I455-W489 HydrophobicContact CG2-CH2 3.65Å; I455-W489 HydrophobicContact CG2-CZ3 3.97Å; I455-Q492 HydrophobicContact CD1-CB 3.81Å; I455-Q492 HydrophobicContact CD1-CG 3.53Å; I455-Q492 HydrophobicContact CG1-CG 3.94Å; I455-V493 HydrophobicContact CD1-CG2 3.68Å; I455-L496 HydrophobicContact CG1-CD2 3.97Å
456	D	97.4	Very high	96.4	Very high	75 Å²	75	29.9 Å²	29.9	40%	0.401	16%	0.159	S	C	.	.	H	α-helix	trans	-56.4	-42.8	176.8	-80.1	-27	0	0	0	112	A452 T453 P460	A452-D456 PolarHBondContact O-N 3.36Å; T453-D456 PolarHBondContact O-N 2.89Å; D456-P460 WeakPolarHBondContact O-CD 3.47Å
457	S	96.3	Very high	96.8	Very high	36 Å²	36	30.2 Å²	30.2	25%	0.252	16%	0.163	S	C	.	.	H	α-helix	trans	-69.4	-32.8	-179.9	81.6	0	0	0	0	113.3	Y242 T453 Q454 I455	Y242-S457 PolarHBondContact OH-OG 2.9Å; T453-S457 WeakPolarHBondContact O-CB 3.36Å; T453-S457 PolarHBondContact O-N 3.1Å; Q454-S457 PolarHBondContact O-N 2.81Å; Q454-S457 PolarHBondContact O-OG 2.88Å; I455-S457 VanDerWaalsContact C-N 3.28Å; I455-S457 PolarHBondContact O-N 3.24Å
458	L	97.6	Very high	97.1	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.021	14%	0.139	C	C	.	.	H	α-helix	trans	-87.7	-33.2	-173.3	-174.2	63.2	0	0	0	112.3	Q454 I455 Q461 V462 F485 Q488 W489 Q492	Q454-L458 VanDerWaalsContact O-CB 3.23Å; Q454-L458 WeakPolarHBondContact O-CB 3.45Å; Q454-L458 PolarHBondContact O-N 3.21Å; I455-L458 PolarHBondContact O-N 2.86Å; I455-L458 VanDerWaalsContact O-N 3.14Å; L458-Q461 HydrophobicContact CD1-CB 4.42Å; L458-Q461 WeakPolarHBondContact O-CA 3.28Å; L458-Q461 VanDerWaalsContact O-CB 3.3Å; L458-Q461 WeakPolarHBondContact O-CB 3.3Å; L458-Q461 PolarHBondContact O-N 3.27Å; L458-V462 HydrophobicContact CG-CG2 4.15Å; L458-V462 PolarHBondContact O-N 3.14Å; L458-F485 HydrophobicContact CD1-CD1 3.98Å; L458-F485 HydrophobicContact CD1-CE1 4.27Å; L458-Q488 HydrophobicContact CD1-CG 4.15Å; L458-Q488 HydrophobicContact CD2-CB 4.45Å; L458-Q488 HydrophobicContact CD2-CG 3.9Å; L458-W489 HydrophobicContact CB-CE3 4.33Å; L458-W489 HydrophobicContact CD2-CB 4.2Å; L458-W489 HydrophobicContact CD2-CE3 4Å; L458-W489 HydrophobicContact CG-CE3 4.05Å; L458-Q492 HydrophobicContact CD2-CB 4.14Å
459	C	98.5	Very high	97.2	Very high	6 Å²	6	25.7 Å²	25.7	4%	0.041	14%	0.139	C	C	.	.	H	α-helix	trans	-46.5	-55.1	179.2	176	0	0	0	0	113.7	F421 A425 I455 Q461 V462 I463 W489	F421-C459 HydrophobicContact CE1-CB 4.48Å; A425-C459 HydrophobicContact CB-CB 4.16Å; I455-C459 WeakPolarHBondContact O-CB 3.38Å; I455-C459 PolarHBondContact O-N 3.13Å; C459-Q461 PolarHBondContact O-N 3.49Å; C459-V462 PolarHBondContact O-N 2.78Å; C459-I463 WeakPolarHBondContact O-CG1 3.37Å; C459-I463 PolarHBondContact O-N 2.83Å; C459-W489 HydrophobicContact CB-CH2 4.15Å; C459-W489 HydrophobicContact CB-CZ3 3.81Å
460	P	98.3	Very high	97.3	Very high	54 Å²	54	23.7 Å²	23.7	35%	0.351	13%	0.132	S	C	.	.	H	α-helix	trans	-62.8	-25.3	177.6	24.8	-34.5	0	0	0	113.2	D456 N464	D456-P460 WeakPolarHBondContact O-CD 3.47Å; P460-N464 WeakPolarHBondContact O-CB 3.41Å; P460-N464 PolarHBondContact O-N 3.41Å; P460-N464 PolarHBondContact O-ND2 2.74Å; P460-N464 VanDerWaalsContact O-ND2 3.09Å
461	Q	98.3	Very high	97.6	Very high	18 Å²	18	21.2 Å²	21.2	8%	0.084	12%	0.123	C	C	.	.	H	α-helix	trans	-77	-37.9	-179.9	-48	-50.9	-32.3	0	0	112.4	N239 Y242 L458 C459 I463 N464 A465 F485	N239-Q461 VanDerWaalsContact ND2-CA 3.35Å; N239-Q461 WeakPolarHBondContact ND2-CA 3.26Å; N239-Q461 PolarHBondContact ND2-O 3.37Å; N239-Q461 PolarHBondContact ND2-OE1 3.02Å; N239-Q461 VanDerWaalsContact ND2-OE1 3.15Å; Y242-Q461 HydrophobicContact CD1-CG 3.61Å; Y242-Q461 HydrophobicContact CD2-CG 3.96Å; Y242-Q461 HydrophobicContact CE1-CG 3.84Å; Y242-Q461 HydrophobicContact CE2-CG 4.15Å; Y242-Q461 HydrophobicContact CG-CG 3.67Å; L458-Q461 HydrophobicContact CD1-CB 4.42Å; L458-Q461 WeakPolarHBondContact O-CA 3.28Å; L458-Q461 VanDerWaalsContact O-CB 3.3Å; L458-Q461 WeakPolarHBondContact O-CB 3.3Å; L458-Q461 PolarHBondContact O-N 3.27Å; C459-Q461 PolarHBondContact O-N 3.49Å; Q461-I463 VanDerWaalsContact C-N 3.32Å; Q461-N464 PolarHBondContact O-N 2.83Å; Q461-A465 WeakPolarHBondContact O-CB 3.48Å; Q461-A465 PolarHBondContact O-N 3.45Å; Q461-F485 HydrophobicContact CB-CD1 4Å; Q461-F485 HydrophobicContact CB-CE1 3.62Å; Q461-F485 HydrophobicContact CB-CZ 4.32Å
462	V	98.5	Very high	97.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.3	-44.4	171.3	177.7	0	0	0	0	110.2	L399 L402 F421 L458 C459 N464 A465 A466 M482 W489	L399-V462 HydrophobicContact CD1-CG1 3.47Å; L399-V462 VanDerWaalsContact CD1-CG1 3.47Å; L402-V462 HydrophobicContact CD2-CG1 4.48Å; F421-V462 HydrophobicContact CE1-CB 3.94Å; F421-V462 HydrophobicContact CE1-CG1 3.92Å; F421-V462 HydrophobicContact CE2-CG1 4.41Å; F421-V462 HydrophobicContact CZ-CB 3.99Å; F421-V462 HydrophobicContact CZ-CG1 3.7Å; F421-V462 HydrophobicContact CZ-CG2 4.35Å; L458-V462 HydrophobicContact CG-CG2 4.15Å; L458-V462 PolarHBondContact O-N 3.14Å; C459-V462 PolarHBondContact O-N 2.78Å; V462-N464 PolarHBondContact O-N 2.99Å; V462-A465 PolarHBondContact O-N 2.83Å; V462-A466 PolarHBondContact O-N 3.35Å; V462-M482 HydrophobicContact CG1-CE 3.85Å; V462-W489 HydrophobicContact CG2-CB 3.89Å; V462-W489 HydrophobicContact CG2-CD2 4.23Å; V462-W489 HydrophobicContact CG2-CE3 3.87Å; V462-W489 HydrophobicContact CG2-CG 4.27Å
463	I	98.5	Very high	97.7	Very high	9 Å²	9	27.1 Å²	27.1	5%	0.046	15%	0.148	C	C	.	.	H	α-helix	trans	-61.1	-44.7	175.6	-65.3	169.6	0	0	0	110.9	A418 F421 R422 C459 Q461 A465 A466 L467	A418-I463 HydrophobicContact CB-CD1 4.27Å; A418-I463 HydrophobicContact CB-CG1 4.14Å; A418-I463 HydrophobicContact CB-CG2 3.77Å; F421-I463 HydrophobicContact CD1-CD1 4.13Å; F421-I463 HydrophobicContact CD1-CG1 3.83Å; F421-I463 HydrophobicContact CE1-CG1 4.23Å; R422-I463 HydrophobicContact CB-CD1 4.35Å; C459-I463 WeakPolarHBondContact O-CG1 3.37Å; C459-I463 PolarHBondContact O-N 2.83Å; Q461-I463 VanDerWaalsContact C-N 3.32Å; I463-A465 VanDerWaalsContact C-N 3.31Å; I463-A465 PolarHBondContact O-N 3.1Å; I463-A466 PolarHBondContact O-N 2.7Å; I463-L467 HydrophobicContact CG2-CD1 3.96Å; I463-L467 HydrophobicContact CG2-CG 4.33Å; I463-L467 WeakPolarHBondContact O-CB 3.43Å; I463-L467 WeakPolarHBondContact O-CG 3.36Å; I463-L467 PolarHBondContact O-N 3.48Å
464	N	98.3	Very high	97.8	Very high	30 Å²	30	32.1 Å²	32.1	16%	0.16	17%	0.167	C	C	.	.	H	α-helix	trans	-62.4	-37.8	176.9	-76.3	-28.4	0	0	0	112.4	A235 A238 N239 P460 Q461 V462 T468	A235-N464 HydrophobicContact CB-CB 3.95Å; A235-N464 WeakPolarHBondContact CB-O 3.23Å; A238-N464 VanDerWaalsContact CB-ND2 3.35Å; A238-N464 WeakPolarHBondContact CB-ND2 3.16Å; N239-N464 VanDerWaalsContact ND2-CB 3.28Å; N239-N464 WeakPolarHBondContact ND2-CB 3.47Å; P460-N464 WeakPolarHBondContact O-CB 3.41Å; P460-N464 PolarHBondContact O-N 3.41Å; P460-N464 PolarHBondContact O-ND2 2.74Å; P460-N464 VanDerWaalsContact O-ND2 3.09Å; Q461-N464 PolarHBondContact O-N 2.83Å; V462-N464 PolarHBondContact O-N 2.99Å; N464-T468 WeakPolarHBondContact O-CB 3.26Å; N464-T468 PolarHBondContact O-N 2.77Å; N464-T468 PolarHBondContact O-OG1 3.25Å
465	A	98.5	Very high	97.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.9	-41.8	175	0	0	0	0	0	111	N239 Q461 V462 I463 T468 L469 M482 F485	N239-A465 WeakPolarHBondContact OD1-CA 3.19Å; N239-A465 PolarHBondContact OD1-N 2.7Å; Q461-A465 WeakPolarHBondContact O-CB 3.48Å; Q461-A465 PolarHBondContact O-N 3.45Å; V462-A465 PolarHBondContact O-N 2.83Å; I463-A465 VanDerWaalsContact C-N 3.31Å; I463-A465 PolarHBondContact O-N 3.1Å; A465-T468 WeakPolarHBondContact O-CB 3.42Å; A465-T468 PolarHBondContact O-N 3.27Å; A465-L469 PolarHBondContact O-N 3.33Å; A465-M482 HydrophobicContact CB-CE 4.3Å; A465-M482 HydrophobicContact CB-SD 3.66Å; A465-F485 HydrophobicContact CB-CB 4.04Å; A465-F485 HydrophobicContact CB-CD2 3.77Å; A465-F485 HydrophobicContact CB-CG 4.1Å
466	A	98.6	Very high	97.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.8	-44.2	176.2	0	0	0	0	0	112	L402 A406 V414 V462 I463 T468 L469 A470 M482	L402-A466 HydrophobicContact CD1-CB 3.99Å; L402-A466 HydrophobicContact CD2-CB 4.04Å; L402-A466 HydrophobicContact CG-CB 3.81Å; A406-A466 HydrophobicContact CB-CB 4.16Å; A406-A466 WeakPolarHBondContact CB-O 3.35Å; V414-A466 HydrophobicContact CG1-CB 4.37Å; V462-A466 PolarHBondContact O-N 3.35Å; I463-A466 PolarHBondContact O-N 2.7Å; A466-T468 VanDerWaalsContact C-N 3.29Å; A466-T468 PolarHBondContact O-N 2.78Å; A466-L469 PolarHBondContact O-N 3.35Å; A466-A470 WeakPolarHBondContact O-CB 3.34Å; A466-A470 PolarHBondContact O-N 2.91Å; A466-M482 VanDerWaalsContact CA-SD 3.55Å; A466-M482 HydrophobicContact CB-SD 3.93Å; A466-M482 PolarHBondContact N-SD 3.33Å
467	L	98.2	Very high	97.9	Very high	47 Å²	47	32.3 Å²	32.3	25%	0.246	17%	0.166	C	C	.	.	H	α-helix	trans	-61.4	-37.9	174.3	-72.5	170.4	0	0	0	112.1	A235 V414 K415 I463 A470 A471	A235-L467 HydrophobicContact CB-CB 4.18Å; V414-L467 HydrophobicContact CG1-CD2 3.81Å; V414-L467 HydrophobicContact CG1-CG 4.32Å; K415-L467 HydrophobicContact CG-CD2 4.39Å; I463-L467 HydrophobicContact CG2-CD1 3.96Å; I463-L467 HydrophobicContact CG2-CG 4.33Å; I463-L467 WeakPolarHBondContact O-CB 3.43Å; I463-L467 WeakPolarHBondContact O-CG 3.36Å; I463-L467 PolarHBondContact O-N 3.48Å; L467-A470 PolarHBondContact O-N 2.84Å; L467-A471 WeakPolarHBondContact O-CB 3.11Å; L467-A471 PolarHBondContact O-N 3.34Å
468	T	98.1	Very high	97.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.4	-45.1	174.7	-60.7	0	0	0	0	111.4	T236 N464 A465 A466 A471 R472 A478	T236-T468 HydrophobicContact CG2-CG2 3.42Å; T236-T468 VanDerWaalsContact CG2-CG2 3.42Å; N464-T468 WeakPolarHBondContact O-CB 3.26Å; N464-T468 PolarHBondContact O-N 2.77Å; N464-T468 PolarHBondContact O-OG1 3.25Å; A465-T468 WeakPolarHBondContact O-CB 3.42Å; A465-T468 PolarHBondContact O-N 3.27Å; A466-T468 VanDerWaalsContact C-N 3.29Å; A466-T468 PolarHBondContact O-N 2.78Å; T468-A471 PolarHBondContact O-N 2.68Å; T468-R472 PolarHBondContact O-N 3.46Å; T468-A478 HydrophobicContact CG2-CB 4.1Å
469	L	98.5	Very high	98	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-65.8	-41.4	177.5	179.4	60	0	0	0	111.5	A406 K407 A465 A466 A471 R472 P473 A478 Q479 M482	A406-L469 HydrophobicContact CB-CB 4.13Å; A406-L469 HydrophobicContact CB-CD2 4.02Å; A406-L469 HydrophobicContact CB-CG 4.1Å; K407-L469 HydrophobicContact CG-CD2 3.94Å; A465-L469 PolarHBondContact O-N 3.33Å; A466-L469 PolarHBondContact O-N 3.35Å; L469-A471 PolarHBondContact O-N 3.42Å; L469-R472 CarbonylContact O-C 3.12Å; L469-R472 PolarHBondContact O-N 2.77Å; L469-P473 WeakPolarHBondContact O-CA 3.37Å; L469-A478 HydrophobicContact CD1-CB 4.19Å; L469-Q479 HydrophobicContact CD1-CB 4.39Å; L469-Q479 HydrophobicContact CD1-CG 3.53Å; L469-M482 HydrophobicContact CD2-CB 3.97Å; L469-M482 HydrophobicContact CD2-CG 3.9Å
470	A	98	Very high	98	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.033	18%	0.177	C	C	.	.	H	α-helix	trans	-61.5	-41.6	177	0	0	0	0	0	112.9	A406 G409 E411 V414 A466 L467 R472 P473	A406-A470 HydrophobicContact CB-CB 4.37Å; A406-A470 WeakPolarHBondContact O-CA 3.3Å; G409-A470 WeakPolarHBondContact CA-O 3.36Å; E411-A470 HydrophobicContact CG-CB 4.16Å; V414-A470 HydrophobicContact CB-CB 4.36Å; V414-A470 HydrophobicContact CG1-CB 4.37Å; V414-A470 HydrophobicContact CG2-CB 3.83Å; A466-A470 WeakPolarHBondContact O-CB 3.34Å; A466-A470 PolarHBondContact O-N 2.91Å; L467-A470 PolarHBondContact O-N 2.84Å; A470-R472 PolarHBondContact O-N 3.04Å; A470-P473 WeakPolarHBondContact O-CD 3.14Å
471	A	97.7	Very high	97.9	Very high	17 Å²	17	32.7 Å²	32.7	14%	0.14	16%	0.16	C	C	.	.	H	α-helix	trans	-68.6	-25.1	175.8	0	0	0	0	0	112.5	V233 L467 T468 L469	V233-A471 HydrophobicContact CG1-CB 4.4Å; V233-A471 HydrophobicContact CG2-CB 4.06Å; L467-A471 WeakPolarHBondContact O-CB 3.11Å; L467-A471 PolarHBondContact O-N 3.34Å; T468-A471 PolarHBondContact O-N 2.68Å; L469-A471 PolarHBondContact O-N 3.42Å
472	R	97.7	Very high	97.9	Very high	93 Å²	93	31.9 Å²	31.9	35%	0.351	16%	0.156	S	C	.	.	S	Bend	trans	-140.9	62.2	-172.7	-57.9	-69.3	176.7	-110.8	6.2	111.6	H230 D232 V233 T468 L469 A470 Q474 S475	H230-R472 HydrophobicContact CB-CG 4.45Å; H230-R472 WeakPolarHBondContact ND1-CD 3.5Å; H230-R472 WeakPolarHBondContact ND1-CG 3.4Å; D232-R472 IonicContact OD2-CZ 2.72Å; D232-R472 IonicContact OD2-NH2 3.39Å; D232-R472 PolarHBondContact OD2-NH2 3.48Å; V233-R472 HydrophobicContact CG2-CG 4.4Å; T468-R472 PolarHBondContact O-N 3.46Å; L469-R472 CarbonylContact O-C 3.12Å; L469-R472 PolarHBondContact O-N 2.77Å; A470-R472 PolarHBondContact O-N 3.04Å; R472-Q474 VanDerWaalsContact C-N 3.28Å; R472-Q474 PolarHBondContact O-N 2.92Å; R472-S475 WeakPolarHBondContact O-CB 3.22Å; R472-S475 PolarHBondContact O-N 3.12Å
473	P	96.4	Very high	97.9	Very high	35 Å²	35	35.3 Å²	35.3	23%	0.227	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-28.5	-166.9	23.5	-33.7	0	0	0	113.7	L469 A470 S475 Q479	L469-P473 WeakPolarHBondContact O-CA 3.37Å; A470-P473 WeakPolarHBondContact O-CD 3.14Å; P473-S475 VanDerWaalsContact C-N 3.32Å; P473-Q479 PolarHBondContact O-NE2 3.27Å
474	Q	97	Very high	97.9	Very high	173 Å²	173	36.3 Å²	36.3	81%	0.808	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-1.8	177.6	-56.8	-57.4	-30.1	0	0	113.5	R472 K476	R472-Q474 VanDerWaalsContact C-N 3.28Å; R472-Q474 PolarHBondContact O-N 2.92Å; Q474-K476 PolarHBondContact O-N 3.43Å
475	S	97.7	Very high	97.9	Very high	16 Å²	16	34.9 Å²	34.9	11%	0.112	17%	0.174	C	C	.	.			trans	-80.7	111.9	-179.1	172.9	0	0	0	0	110.7	H230 R472 P473 V477 A478 Q479	H230-S475 VanDerWaalsContact NE2-CB 3.33Å; H230-S475 WeakPolarHBondContact NE2-CB 3.29Å; H230-S475 PolarHBondContact NE2-OG 3.17Å; R472-S475 WeakPolarHBondContact O-CB 3.22Å; R472-S475 PolarHBondContact O-N 3.12Å; P473-S475 VanDerWaalsContact C-N 3.32Å; S475-V477 PolarHBondContact O-N 3.27Å; S475-A478 WeakPolarHBondContact O-CB 3.46Å; S475-A478 PolarHBondContact O-N 3.01Å; S475-A478 PolarHBondContact OG-N 3.29Å; S475-Q479 PolarHBondContact O-N 3.2Å
476	K	97.7	Very high	97.9	Very high	121 Å²	121	37.6 Å²	37.6	53%	0.526	19%	0.186	S	C	.	.	H	α-helix	trans	-54.8	-40.9	174.5	-176.5	51.4	175.5	155	0	112.6	Q474 A478 Q479 D480	Q474-K476 PolarHBondContact O-N 3.43Å; K476-A478 VanDerWaalsContact C-N 3.28Å; K476-A478 PolarHBondContact O-N 3.34Å; K476-Q479 WeakPolarHBondContact O-CB 3.43Å; K476-Q479 PolarHBondContact O-N 3.46Å; K476-D480 WeakPolarHBondContact CE-OD1 3.33Å; K476-D480 IonicContact NZ-OD1 3.74Å; K476-D480 PolarHBondContact NZ-OD1 2.96Å; K476-D480 WeakPolarHBondContact O-CB 3.17Å; K476-D480 PolarHBondContact O-N 2.63Å
477	V	97.3	Very high	97.9	Very high	14 Å²	14	40.7 Å²	40.7	9%	0.085	20%	0.202	C	C	.	.	H	α-helix	trans	-63.3	-33.6	176.9	-177.3	0	0	0	0	112.5	Q225 A226 S475 N481	Q225-V477 VanDerWaalsContact C-CG1 3.48Å; Q225-V477 HydrophobicContact CB-CG1 3.74Å; Q225-V477 HydrophobicContact CG-CG1 3.57Å; Q225-V477 HydrophobicContact CG-CG2 4.12Å; A226-V477 HydrophobicContact CB-CG1 4.11Å; A226-V477 VanDerWaalsContact N-CG1 3.34Å; S475-V477 PolarHBondContact O-N 3.27Å; V477-N481 WeakPolarHBondContact O-CB 3.14Å; V477-N481 PolarHBondContact O-N 3.21Å
478	A	97.9	Very high	97.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-74.7	-38.2	178.5	0	0	0	0	0	110.7	T468 L469 S475 K476 N481 M482	T468-A478 HydrophobicContact CG2-CB 4.1Å; L469-A478 HydrophobicContact CD1-CB 4.19Å; S475-A478 WeakPolarHBondContact O-CB 3.46Å; S475-A478 PolarHBondContact O-N 3.01Å; S475-A478 PolarHBondContact OG-N 3.29Å; K476-A478 VanDerWaalsContact C-N 3.28Å; K476-A478 PolarHBondContact O-N 3.34Å; A478-N481 PolarHBondContact O-N 2.97Å; A478-M482 PolarHBondContact O-N 3.5Å
479	Q	98.2	Very high	97.8	Very high	60 Å²	60	39.3 Å²	39.3	28%	0.28	19%	0.194	S	C	.	.	H	α-helix	trans	-62.4	-49.8	172.7	-65.8	170.7	3.3	0	0	111.1	L469 P473 S475 K476 N481 M482 D483	L469-Q479 HydrophobicContact CD1-CB 4.39Å; L469-Q479 HydrophobicContact CD1-CG 3.53Å; P473-Q479 PolarHBondContact O-NE2 3.27Å; S475-Q479 PolarHBondContact O-N 3.2Å; K476-Q479 WeakPolarHBondContact O-CB 3.43Å; K476-Q479 PolarHBondContact O-N 3.46Å; Q479-N481 VanDerWaalsContact C-N 3.28Å; Q479-N481 PolarHBondContact O-N 3.05Å; Q479-M482 WeakPolarHBondContact O-CB 3.47Å; Q479-M482 PolarHBondContact O-N 2.77Å; Q479-M482 VanDerWaalsContact O-N 3.09Å; Q479-D483 PolarHBondContact O-N 3.04Å
480	D	98	Very high	97.8	Very high	49 Å²	49	40.8 Å²	40.8	26%	0.262	20%	0.201	S	C	.	.	H	α-helix	trans	-60.1	-39.4	178.7	-65.6	-21	0	0	0	111.5	K476 D483 V484	K476-D480 WeakPolarHBondContact CE-OD1 3.33Å; K476-D480 IonicContact NZ-OD1 3.74Å; K476-D480 PolarHBondContact NZ-OD1 2.96Å; K476-D480 WeakPolarHBondContact O-CB 3.17Å; K476-D480 PolarHBondContact O-N 2.63Å; D480-D483 PolarHBondContact O-N 3.34Å; D480-V484 WeakPolarHBondContact O-CG2 3.39Å; D480-V484 PolarHBondContact O-N 3.45Å; D480-V484 VanDerWaalsContact O-N 3.15Å
481	N	98	Very high	97.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.3	-45.2	174.1	-171.6	62.1	0	0	0	112.1	T222 A223 A226 N239 V477 A478 Q479 D483 V484 F485	T222-N481 PolarHBondContact OG1-OD1 3.46Å; A223-N481 VanDerWaalsContact CA-OD1 3.32Å; A223-N481 WeakPolarHBondContact CA-OD1 3.32Å; A223-N481 PolarHBondContact N-OD1 2.96Å; A226-N481 HydrophobicContact CB-CB 4.2Å; N239-N481 PolarHBondContact OD1-ND2 3.17Å; V477-N481 WeakPolarHBondContact O-CB 3.14Å; V477-N481 PolarHBondContact O-N 3.21Å; A478-N481 PolarHBondContact O-N 2.97Å; Q479-N481 VanDerWaalsContact C-N 3.28Å; Q479-N481 PolarHBondContact O-N 3.05Å; N481-D483 VanDerWaalsContact C-N 3.35Å; N481-D483 PolarHBondContact O-N 3.14Å; N481-V484 PolarHBondContact O-N 2.81Å; N481-F485 VanDerWaalsContact O-CD2 3.3Å; N481-F485 WeakPolarHBondContact O-CD2 3.38Å; N481-F485 PolarHBondContact O-N 3.49Å; N481-F485 VanDerWaalsContact O-N 3.11Å; N481-F485 WeakPolarHBondContact OD1-CE2 3.36Å
482	M	98.4	Very high	97.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.4	-44.2	176.2	-172.3	65.8	-121.7	0	0	111.7	I403 V462 A465 A466 L469 A478 Q479 V484 F485 K486	I403-M482 HydrophobicContact CD1-CE 3.79Å; I403-M482 HydrophobicContact CD1-CG 4.42Å; I403-M482 HydrophobicContact CG1-CE 3.7Å; I403-M482 HydrophobicContact CG1-CG 4.14Å; I403-M482 HydrophobicContact CG1-SD 4.23Å; V462-M482 HydrophobicContact CG1-CE 3.85Å; A465-M482 HydrophobicContact CB-CE 4.3Å; A465-M482 HydrophobicContact CB-SD 3.66Å; A466-M482 VanDerWaalsContact CA-SD 3.55Å; A466-M482 HydrophobicContact CB-SD 3.93Å; A466-M482 PolarHBondContact N-SD 3.33Å; L469-M482 HydrophobicContact CD2-CB 3.97Å; L469-M482 HydrophobicContact CD2-CG 3.9Å; A478-M482 PolarHBondContact O-N 3.5Å; Q479-M482 WeakPolarHBondContact O-CB 3.47Å; Q479-M482 PolarHBondContact O-N 2.77Å; Q479-M482 VanDerWaalsContact O-N 3.09Å; M482-V484 VanDerWaalsContact C-N 3.34Å; M482-V484 PolarHBondContact O-N 2.6Å; M482-F485 PolarHBondContact O-N 3.07Å; M482-K486 HydrophobicContact CE-CB 4.42Å; M482-K486 VanDerWaalsContact O-CB 3.29Å; M482-K486 WeakPolarHBondContact O-CB 3.36Å; M482-K486 PolarHBondContact O-N 3.01Å
483	D	98.3	Very high	97.7	Very high	73 Å²	73	40.6 Å²	40.6	39%	0.39	20%	0.199	S	C	.	.	H	α-helix	trans	-62.4	-40.1	-179.3	-71.6	-25.1	0	0	0	111.9	Q479 D480 N481 K486 D487	Q479-D483 PolarHBondContact O-N 3.04Å; D480-D483 PolarHBondContact O-N 3.34Å; N481-D483 VanDerWaalsContact C-N 3.35Å; N481-D483 PolarHBondContact O-N 3.14Å; D483-K486 PolarHBondContact O-N 3.32Å; D483-D487 WeakPolarHBondContact O-CB 3.45Å; D483-D487 PolarHBondContact O-N 2.9Å
484	V	98.1	Very high	97.7	Very high	30 Å²	30	44.7 Å²	44.7	18%	0.182	21%	0.21	C	C	.	.	H	α-helix	trans	-67.4	-42.8	176.1	175.7	0	0	0	0	111.5	T218 M219 T222 D480 N481 M482 K486 Q488	T218-V484 HydrophobicContact CG2-CG1 4.05Å; T218-V484 HydrophobicContact CG2-CG2 3.91Å; M219-V484 HydrophobicContact CB-CG1 4.34Å; M219-V484 HydrophobicContact CG-CG1 3.52Å; T222-V484 HydrophobicContact CG2-CG2 3.86Å; D480-V484 WeakPolarHBondContact O-CG2 3.39Å; D480-V484 PolarHBondContact O-N 3.45Å; D480-V484 VanDerWaalsContact O-N 3.15Å; N481-V484 PolarHBondContact O-N 2.81Å; M482-V484 VanDerWaalsContact C-N 3.34Å; M482-V484 PolarHBondContact O-N 2.6Å; V484-K486 VanDerWaalsContact C-N 3.35Å; V484-Q488 WeakPolarHBondContact O-CB 3.33Å; V484-Q488 PolarHBondContact O-N 2.91Å
485	F	98.3	Very high	97.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-68.5	-33.9	176.5	-83.8	-73	0	0	0	112.6	M219 A223 N239 V243 L458 Q461 A465 N481 M482 Q488 W489	M219-F485 HydrophobicContact SD-CD1 4.12Å; M219-F485 HydrophobicContact SD-CE1 3.8Å; M219-F485 HydrophobicContact SD-CZ 4.37Å; A223-F485 HydrophobicContact CB-CE2 4.41Å; N239-F485 HydrophobicContact CB-CE2 3.99Å; N239-F485 HydrophobicContact CB-CZ 4Å; V243-F485 HydrophobicContact CG2-CZ 3.95Å; L458-F485 HydrophobicContact CD1-CD1 3.98Å; L458-F485 HydrophobicContact CD1-CE1 4.27Å; Q461-F485 HydrophobicContact CB-CD1 4Å; Q461-F485 HydrophobicContact CB-CE1 3.62Å; Q461-F485 HydrophobicContact CB-CZ 4.32Å; A465-F485 HydrophobicContact CB-CB 4.04Å; A465-F485 HydrophobicContact CB-CD2 3.77Å; A465-F485 HydrophobicContact CB-CG 4.1Å; N481-F485 VanDerWaalsContact O-CD2 3.3Å; N481-F485 WeakPolarHBondContact O-CD2 3.38Å; N481-F485 PolarHBondContact O-N 3.49Å; N481-F485 VanDerWaalsContact O-N 3.11Å; N481-F485 WeakPolarHBondContact OD1-CE2 3.36Å; M482-F485 PolarHBondContact O-N 3.07Å; F485-Q488 PolarHBondContact O-N 3.42Å; F485-W489 WeakPolarHBondContact O-CB 3.4Å; F485-W489 PolarHBondContact O-N 3.44Å
486	K	98.3	Very high	97.7	Very high	57 Å²	57	39 Å²	39	25%	0.248	19%	0.186	C	C	.	.	H	α-helix	trans	-60.3	-56	171.8	178.8	-163.7	169.9	178	0	110.8	L399 I403 M482 D483 V484 Q488 W489 E490	L399-K486 HydrophobicContact CD2-CG 3.77Å; L399-K486 HydrophobicContact CG-CG 4.41Å; I403-K486 HydrophobicContact CD1-CB 3.88Å; I403-K486 HydrophobicContact CD1-CD 3.68Å; I403-K486 HydrophobicContact CD1-CG 3.65Å; M482-K486 HydrophobicContact CE-CB 4.42Å; M482-K486 VanDerWaalsContact O-CB 3.29Å; M482-K486 WeakPolarHBondContact O-CB 3.36Å; M482-K486 PolarHBondContact O-N 3.01Å; D483-K486 PolarHBondContact O-N 3.32Å; V484-K486 VanDerWaalsContact C-N 3.35Å; K486-Q488 PolarHBondContact O-N 3.45Å; K486-W489 WeakPolarHBondContact O-CB 3.27Å; K486-W489 PolarHBondContact O-N 3.14Å; K486-W489 VanDerWaalsContact O-N 3.09Å; K486-E490 WeakPolarHBondContact CE-OE1 3.29Å; K486-E490 IonicContact NZ-OE1 3.7Å; K486-E490 WeakPolarHBondContact O-CG 3.29Å; K486-E490 PolarHBondContact O-N 2.92Å
487	D	97.7	Very high	97.7	Very high	65 Å²	65	34 Å²	34	35%	0.348	17%	0.166	S	C	.	.	H	α-helix	trans	-57.9	-40.1	178.8	172	66	0	0	0	111.4	D483 W489 K491	D483-D487 WeakPolarHBondContact O-CB 3.45Å; D483-D487 PolarHBondContact O-N 2.9Å; D487-W489 PolarHBondContact O-N 3.4Å; D487-K491 VanDerWaalsContact CG-NZ 3.27Å; D487-K491 WeakPolarHBondContact O-CB 3.5Å; D487-K491 VanDerWaalsContact O-CG 3.3Å; D487-K491 WeakPolarHBondContact O-CG 2.96Å; D487-K491 PolarHBondContact O-N 2.9Å; D487-K491 WeakPolarHBondContact OD1-CE 3.47Å; D487-K491 IonicContact OD1-NZ 3.83Å; D487-K491 PolarHBondContact OD1-NZ 2.93Å; D487-K491 VanDerWaalsContact OD1-NZ 3.08Å; D487-K491 WeakPolarHBondContact OD2-CE 3.48Å; D487-K491 IonicContact OD2-NZ 3.41Å; D487-K491 PolarHBondContact OD2-NZ 3.48Å
488	Q	96.8	Very high	97.6	Very high	17 Å²	17	37.9 Å²	37.9	8%	0.079	18%	0.183	C	C	.	.	H	α-helix	trans	-65.9	-38.4	177	-173.2	49.3	62.4	0	0	112.9	K215 M219 L458 V484 F485 K486 Q492	K215-Q488 VanDerWaalsContact CG-OE1 3.25Å; M219-Q488 HydrophobicContact CE-CG 4.32Å; M219-Q488 HydrophobicContact SD-CB 4.15Å; M219-Q488 HydrophobicContact SD-CG 3.81Å; L458-Q488 HydrophobicContact CD1-CG 4.15Å; L458-Q488 HydrophobicContact CD2-CB 4.45Å; L458-Q488 HydrophobicContact CD2-CG 3.9Å; V484-Q488 WeakPolarHBondContact O-CB 3.33Å; V484-Q488 PolarHBondContact O-N 2.91Å; F485-Q488 PolarHBondContact O-N 3.42Å; K486-Q488 PolarHBondContact O-N 3.45Å; Q488-Q492 WeakPolarHBondContact O-CB 3.36Å; Q488-Q492 PolarHBondContact O-N 3.33Å
489	W	98.1	Very high	97.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.4	-52.6	175.2	176.4	-89.6	0	0	0	111.4	L399 F421 A425 I455 L458 C459 V462 F485 K486 D487 K491 Q492 V493	L399-W489 HydrophobicContact CD2-CG 4.31Å; F421-W489 HydrophobicContact CE1-CH2 4.23Å; F421-W489 HydrophobicContact CE1-CZ2 4.36Å; F421-W489 HydrophobicContact CE1-CZ3 4.36Å; F421-W489 HydrophobicContact CE2-CD2 4.12Å; F421-W489 AromaticContact CE2-CE2 3.53Å; F421-W489 HydrophobicContact CE2-CH2 4.32Å; F421-W489 AromaticContact CE2-CZ2 3.65Å; F421-W489 HydrophobicContact CE2-CZ2 3.65Å; F421-W489 AromaticContact CE2-NE1 3.71Å; F421-W489 AromaticContact CZ-CD2 3.6Å; F421-W489 HydrophobicContact CZ-CD2 3.6Å; F421-W489 AromaticContact CZ-CE2 3.4Å; F421-W489 AromaticContact CZ-CE3 3.83Å; F421-W489 HydrophobicContact CZ-CE3 3.83Å; F421-W489 HydrophobicContact CZ-CG 4.3Å; F421-W489 AromaticContact CZ-CH2 3.69Å; F421-W489 HydrophobicContact CZ-CH2 3.69Å; F421-W489 AromaticContact CZ-CZ2 3.45Å; F421-W489 HydrophobicContact CZ-CZ2 3.45Å; F421-W489 VanDerWaalsContact CZ-CZ2 3.45Å; F421-W489 AromaticContact CZ-CZ3 3.88Å; F421-W489 HydrophobicContact CZ-CZ3 3.88Å; F421-W489 AromaticContact CZ-NE1 3.99Å; A425-W489 HydrophobicContact CB-CH2 3.57Å; A425-W489 HydrophobicContact CB-CZ2 4.17Å; I455-W489 HydrophobicContact CD1-CE3 4.4Å; I455-W489 HydrophobicContact CD1-CH2 4.27Å; I455-W489 HydrophobicContact CD1-CZ3 4.15Å; I455-W489 HydrophobicContact CG2-CH2 3.65Å; I455-W489 HydrophobicContact CG2-CZ3 3.97Å; L458-W489 HydrophobicContact CB-CE3 4.33Å; L458-W489 HydrophobicContact CD2-CB 4.2Å; L458-W489 HydrophobicContact CD2-CE3 4Å; L458-W489 HydrophobicContact CG-CE3 4.05Å; C459-W489 HydrophobicContact CB-CH2 4.15Å; C459-W489 HydrophobicContact CB-CZ3 3.81Å; V462-W489 HydrophobicContact CG2-CB 3.89Å; V462-W489 HydrophobicContact CG2-CD2 4.23Å; V462-W489 HydrophobicContact CG2-CE3 3.87Å; V462-W489 HydrophobicContact CG2-CG 4.27Å; F485-W489 WeakPolarHBondContact O-CB 3.4Å; F485-W489 PolarHBondContact O-N 3.44Å; K486-W489 WeakPolarHBondContact O-CB 3.27Å; K486-W489 PolarHBondContact O-N 3.14Å; K486-W489 VanDerWaalsContact O-N 3.09Å; D487-W489 PolarHBondContact O-N 3.4Å; W489-K491 VanDerWaalsContact C-N 3.28Å; W489-K491 PolarHBondContact O-N 3.27Å; W489-Q492 PolarHBondContact O-N 3.03Å; W489-V493 HydrophobicContact CD2-CG2 4.24Å; W489-V493 HydrophobicContact CG-CG2 4.42Å; W489-V493 HydrophobicContact CZ2-CG2 4.03Å; W489-V493 WeakPolarHBondContact O-CG2 3.23Å; W489-V493 PolarHBondContact O-N 2.8Å
490	E	98	Very high	97.4	Very high	33 Å²	33	35.5 Å²	35.5	15%	0.154	17%	0.174	C	C	.	.	H	α-helix	trans	-59.6	-39.7	-179	-66.5	-180	177.5	0	0	111.9	L399 K486 R494	L399-E490 HydrophobicContact CD2-CG 3.9Å; K486-E490 WeakPolarHBondContact CE-OE1 3.29Å; K486-E490 IonicContact NZ-OE1 3.7Å; K486-E490 WeakPolarHBondContact O-CG 3.29Å; K486-E490 PolarHBondContact O-N 2.92Å; E490-R494 WeakPolarHBondContact O-CG 3.39Å; E490-R494 PolarHBondContact O-N 3.38Å; E490-R494 PolarHBondContact O-NE 3.27Å; E490-R494 IonicContact OE2-NH2 3.78Å; E490-R494 PolarHBondContact OE2-NH2 3.28Å
491	K	96.6	Very high	97.3	Very high	100 Å²	100	34.3 Å²	34.3	44%	0.435	17%	0.167	S	C	.	.	H	α-helix	trans	-63.3	-41.5	172.9	-76.3	171.3	178	162.7	0	112.2	D487 W489 R494 V495	D487-K491 VanDerWaalsContact CG-NZ 3.27Å; D487-K491 WeakPolarHBondContact O-CB 3.5Å; D487-K491 VanDerWaalsContact O-CG 3.3Å; D487-K491 WeakPolarHBondContact O-CG 2.96Å; D487-K491 PolarHBondContact O-N 2.9Å; D487-K491 WeakPolarHBondContact OD1-CE 3.47Å; D487-K491 IonicContact OD1-NZ 3.83Å; D487-K491 PolarHBondContact OD1-NZ 2.93Å; D487-K491 VanDerWaalsContact OD1-NZ 3.08Å; D487-K491 WeakPolarHBondContact OD2-CE 3.48Å; D487-K491 IonicContact OD2-NZ 3.41Å; D487-K491 PolarHBondContact OD2-NZ 3.48Å; W489-K491 VanDerWaalsContact C-N 3.28Å; W489-K491 PolarHBondContact O-N 3.27Å; K491-R494 PolarHBondContact O-N 2.94Å; K491-V495 WeakPolarHBondContact O-CG2 3.31Å; K491-V495 PolarHBondContact O-N 2.99Å
492	Q	97.3	Very high	97.1	Very high	7 Å²	7	39.9 Å²	39.9	3%	0.033	20%	0.197	C	C	.	.	H	α-helix	trans	-70.4	-36.8	-179.1	-166.7	58.8	46.3	0	0	112.3	Q454 I455 L458 Q488 W489 V495 L496	Q454-Q492 HydrophobicContact CB-CG 3.92Å; I455-Q492 HydrophobicContact CD1-CB 3.81Å; I455-Q492 HydrophobicContact CD1-CG 3.53Å; I455-Q492 HydrophobicContact CG1-CG 3.94Å; L458-Q492 HydrophobicContact CD2-CB 4.14Å; Q488-Q492 WeakPolarHBondContact O-CB 3.36Å; Q488-Q492 PolarHBondContact O-N 3.33Å; W489-Q492 PolarHBondContact O-N 3.03Å; Q492-V495 PolarHBondContact O-N 2.94Å; Q492-L496 PolarHBondContact O-N 3.32Å
493	V	98.1	Very high	96.8	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.012	20%	0.202	C	C	.	.	H	α-helix	trans	-64.6	-41.3	174	169.4	0	0	0	0	110.7	T395 L428 I455 W489 L496 T497	T395-V493 HydrophobicContact CG2-CG1 4.05Å; L428-V493 HydrophobicContact CD1-CG1 4.48Å; L428-V493 HydrophobicContact CD1-CG2 4.31Å; I455-V493 HydrophobicContact CD1-CG2 3.68Å; W489-V493 HydrophobicContact CD2-CG2 4.24Å; W489-V493 HydrophobicContact CG-CG2 4.42Å; W489-V493 HydrophobicContact CZ2-CG2 4.03Å; W489-V493 WeakPolarHBondContact O-CG2 3.23Å; W489-V493 PolarHBondContact O-N 2.8Å; V493-L496 PolarHBondContact O-N 3.27Å; V493-T497 WeakPolarHBondContact O-CB 3.42Å; V493-T497 PolarHBondContact O-N 3.45Å; V493-T497 PolarHBondContact O-OG1 3.01Å
494	R	96.3	Very high	96.6	Very high	122 Å²	122	38.6 Å²	38.6	46%	0.46	19%	0.191	S	C	.	.	H	α-helix	trans	-58	-50.4	172.5	-81.9	-177.9	-98.5	-109.8	0.2	112	E490 K491 L496 T497 E498	E490-R494 WeakPolarHBondContact O-CG 3.39Å; E490-R494 PolarHBondContact O-N 3.38Å; E490-R494 PolarHBondContact O-NE 3.27Å; E490-R494 IonicContact OE2-NH2 3.78Å; E490-R494 PolarHBondContact OE2-NH2 3.28Å; K491-R494 PolarHBondContact O-N 2.94Å; R494-L496 VanDerWaalsContact C-N 3.3Å; R494-L496 PolarHBondContact O-N 2.93Å; R494-T497 WeakPolarHBondContact O-CB 3.32Å; R494-T497 PolarHBondContact O-N 3.31Å; R494-E498 WeakPolarHBondContact O-CG 3.39Å; R494-E498 PolarHBondContact O-N 2.95Å
495	V	96.6	Very high	96.2	Very high	69 Å²	69	39.2 Å²	39.2	42%	0.418	20%	0.197	S	C	.	.	H	α-helix	trans	-58.1	-41.4	176.5	170.9	0	0	0	0	112.1	A451 K491 Q492 T497 A499	A451-V495 HydrophobicContact CB-CG1 4.21Å; K491-V495 WeakPolarHBondContact O-CG2 3.31Å; K491-V495 PolarHBondContact O-N 2.99Å; Q492-V495 PolarHBondContact O-N 2.94Å; V495-T497 VanDerWaalsContact C-N 3.34Å; V495-A499 VanDerWaalsContact O-CB 3.31Å; V495-A499 WeakPolarHBondContact O-CB 3.44Å; V495-A499 PolarHBondContact O-N 3.36Å
496	L	98.1	Very high	95.9	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.9	-41.9	175.6	179.6	63.1	0	0	0	111.5	F392 L428 A432 V448 A451 A452 I455 Q492 V493 R494 A499 V500	F392-L496 HydrophobicContact CE1-CD2 4.07Å; F392-L496 HydrophobicContact CE1-CG 4.02Å; F392-L496 HydrophobicContact CZ-CD2 4.11Å; F392-L496 HydrophobicContact CZ-CG 4.2Å; L428-L496 HydrophobicContact CB-CD2 4.25Å; A432-L496 HydrophobicContact CB-CD1 3.76Å; A432-L496 HydrophobicContact CB-CD2 4.34Å; A432-L496 HydrophobicContact CB-CG 4.36Å; V448-L496 HydrophobicContact CG1-CD1 4.21Å; A451-L496 HydrophobicContact CB-CB 4.13Å; A451-L496 HydrophobicContact CB-CD1 3.79Å; A452-L496 HydrophobicContact CB-CD1 4.17Å; I455-L496 HydrophobicContact CG1-CD2 3.97Å; Q492-L496 PolarHBondContact O-N 3.32Å; V493-L496 PolarHBondContact O-N 3.27Å; R494-L496 VanDerWaalsContact C-N 3.3Å; R494-L496 PolarHBondContact O-N 2.93Å; L496-A499 PolarHBondContact O-N 2.96Å; L496-V500 HydrophobicContact CD1-CG2 4.28Å; L496-V500 WeakPolarHBondContact O-CB 3.34Å; L496-V500 VanDerWaalsContact O-CG2 3.28Å; L496-V500 WeakPolarHBondContact O-CG2 3.34Å; L496-V500 PolarHBondContact O-N 3.41Å
497	T	96.7	Very high	95.5	Very high	16 Å²	16	38.9 Å²	38.9	10%	0.098	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-51.4	-179.5	-53.2	0	0	0	0	110.8	F392 V493 R494 V495 A499 V500 D501	F392-T497 HydrophobicContact CD1-CG2 4.1Å; F392-T497 WeakPolarHBondContact CD1-OG1 3.45Å; V493-T497 WeakPolarHBondContact O-CB 3.42Å; V493-T497 PolarHBondContact O-N 3.45Å; V493-T497 PolarHBondContact O-OG1 3.01Å; R494-T497 WeakPolarHBondContact O-CB 3.32Å; R494-T497 PolarHBondContact O-N 3.31Å; V495-T497 VanDerWaalsContact C-N 3.34Å; T497-A499 VanDerWaalsContact C-N 3.34Å; T497-A499 PolarHBondContact O-N 3.28Å; T497-V500 PolarHBondContact O-N 3.1Å; T497-V500 VanDerWaalsContact O-N 3.16Å; T497-D501 VanDerWaalsContact O-CG 3.26Å; T497-D501 PolarHBondContact O-N 3.39Å
498	E	95.3	Very high	95.2	Very high	95 Å²	95	36.3 Å²	36.3	44%	0.444	19%	0.185	S	C	.	.	H	α-helix	trans	-57.4	-46.4	177.3	-70	164.8	-165.8	0	0	111.1	R494 V500 D501 D502	R494-E498 WeakPolarHBondContact O-CG 3.39Å; R494-E498 PolarHBondContact O-N 2.95Å; E498-V500 VanDerWaalsContact C-N 3.32Å; E498-V500 PolarHBondContact O-N 2.96Å; E498-D501 PolarHBondContact O-N 3.36Å; E498-D502 VanDerWaalsContact O-CG 3.29Å; E498-D502 PolarHBondContact O-N 2.89Å
499	A	96.1	Very high	95.1	Very high	10 Å²	10	35.6 Å²	35.6	8%	0.083	18%	0.181	C	C	.	.	H	α-helix	trans	-64.1	-35.3	178.4	0	0	0	0	0	113.2	V448 V495 L496 T497	V448-A499 HydrophobicContact CG2-CB 3.72Å; V448-A499 WeakPolarHBondContact CG2-O 3.5Å; V495-A499 VanDerWaalsContact O-CB 3.31Å; V495-A499 WeakPolarHBondContact O-CB 3.44Å; V495-A499 PolarHBondContact O-N 3.36Å; L496-A499 PolarHBondContact O-N 2.96Å; T497-A499 VanDerWaalsContact C-N 3.34Å; T497-A499 PolarHBondContact O-N 3.28Å
500	V	97.3	Very high	94.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-69.1	-44.2	175	166.8	0	0	0	0	110.1	I388 F392 A432 A435 V448 L496 T497 E498 D502 I503 T504	I388-V500 HydrophobicContact CD1-CG1 3.6Å; I388-V500 HydrophobicContact CG1-CG1 4.01Å; I388-V500 HydrophobicContact CG2-CG1 4.42Å; F392-V500 HydrophobicContact CZ-CG2 4.17Å; A432-V500 HydrophobicContact CB-CG2 3.81Å; A435-V500 HydrophobicContact CB-CG1 4.2Å; V448-V500 HydrophobicContact CG1-CG2 3.84Å; V448-V500 HydrophobicContact CG2-CG2 4.2Å; L496-V500 HydrophobicContact CD1-CG2 4.28Å; L496-V500 WeakPolarHBondContact O-CB 3.34Å; L496-V500 VanDerWaalsContact O-CG2 3.28Å; L496-V500 WeakPolarHBondContact O-CG2 3.34Å; L496-V500 PolarHBondContact O-N 3.41Å; T497-V500 PolarHBondContact O-N 3.1Å; T497-V500 VanDerWaalsContact O-N 3.16Å; E498-V500 VanDerWaalsContact C-N 3.32Å; E498-V500 PolarHBondContact O-N 2.96Å; V500-D502 VanDerWaalsContact C-N 3.31Å; V500-D502 PolarHBondContact O-N 2.88Å; V500-I503 WeakPolarHBondContact O-CG1 3.45Å; V500-I503 PolarHBondContact O-N 2.92Å; V500-T504 HydrophobicContact CG1-CG2 4.49Å; V500-T504 WeakPolarHBondContact O-CG2 3.26Å; V500-T504 PolarHBondContact O-N 3.18Å; V500-T504 PolarHBondContact O-OG1 3.06Å
501	D	94.8	Very high	94.6	Very high	24 Å²	24	34.2 Å²	34.2	13%	0.128	18%	0.175	C	C	.	.	H	α-helix	trans	-59.8	-42.7	178.6	-67.2	-28.4	0	0	0	110.3	T497 E498 I503 T504 R549	T497-D501 VanDerWaalsContact O-CG 3.26Å; T497-D501 PolarHBondContact O-N 3.39Å; E498-D501 PolarHBondContact O-N 3.36Å; D501-I503 PolarHBondContact O-N 3.36Å; D501-I503 VanDerWaalsContact O-N 3.14Å; D501-T504 WeakPolarHBondContact CA-OG1 3.32Å; D501-T504 PolarHBondContact O-N 3.44Å; D501-T504 PolarHBondContact O-OG1 3.48Å; D501-R549 IonicContact OD1-NH2 3.87Å; D501-R549 PolarHBondContact OD1-NH2 3.46Å; D501-R549 IonicContact OD2-NH2 3.74Å; D501-R549 PolarHBondContact OD2-NH2 2.88Å; D501-R549 VanDerWaalsContact OD2-NH2 3.08Å
502	D	93.2	Very high	94.5	Very high	118 Å²	118	29.5 Å²	29.5	63%	0.631	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-22.4	177.8	-74.4	-17.6	0	0	0	115.3	E498 V500	E498-D502 VanDerWaalsContact O-CG 3.29Å; E498-D502 PolarHBondContact O-N 2.89Å; V500-D502 VanDerWaalsContact C-N 3.31Å; V500-D502 PolarHBondContact O-N 2.88Å
503	I	93.9	Very high	94.4	Very high	19 Å²	19	29.1 Å²	29.1	10%	0.097	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	0.9	178.7	66.2	161.2	0	0	0	113.6	A435 N441 G444 V448 V500 D501	A435-I503 HydrophobicContact CB-CD1 4.08Å; N441-I503 HydrophobicContact CB-CG2 4.28Å; G444-I503 VanDerWaalsContact C-CG2 3.45Å; G444-I503 VanDerWaalsContact CA-CG2 3.44Å; V448-I503 HydrophobicContact CG2-CD1 3.84Å; V448-I503 HydrophobicContact CG2-CG1 4.14Å; V448-I503 HydrophobicContact CG2-CG2 4.43Å; V500-I503 WeakPolarHBondContact O-CG1 3.45Å; V500-I503 PolarHBondContact O-N 2.92Å; D501-I503 PolarHBondContact O-N 3.36Å; D501-I503 VanDerWaalsContact O-N 3.14Å
504	T	92.8	Very high	94.2	Very high	27 Å²	27	29.6 Å²	29.6	17%	0.166	16%	0.155	C	C	.	.	S	Bend	trans	-111.8	153.8	-178.6	59	0	0	0	0	111.9	M385 I388 A435 V500 D501	M385-T504 HydrophobicContact CE-CG2 4.49Å; M385-T504 HydrophobicContact SD-CG2 3.86Å; I388-T504 HydrophobicContact CD1-CG2 3.61Å; A435-T504 HydrophobicContact CB-CG2 4.43Å; V500-T504 HydrophobicContact CG1-CG2 4.49Å; V500-T504 WeakPolarHBondContact O-CG2 3.26Å; V500-T504 PolarHBondContact O-N 3.18Å; V500-T504 PolarHBondContact O-OG1 3.06Å; D501-T504 WeakPolarHBondContact CA-OG1 3.32Å; D501-T504 PolarHBondContact O-N 3.44Å; D501-T504 PolarHBondContact O-OG1 3.48Å
505	S	89.5	Confident	94	Very high	42 Å²	42	26.7 Å²	26.7	29%	0.294	15%	0.148	S	C	.	.			trans	-80.8	128.9	178.8	172	0	0	0	0	110.6	D507 D508 F509	S505-D507 PolarHBondContact O-N 2.89Å; S505-D507 PolarHBondContact OG-N 3.49Å; S505-D507 VanDerWaalsContact OG-N 3.13Å; S505-D508 PolarHBondContact O-N 3.32Å; S505-D508 PolarHBondContact OG-N 2.91Å; S505-F509 WeakPolarHBondContact O-CB 3.37Å; S505-F509 PolarHBondContact O-N 3.15Å
506	V	92.3	Very high	93.9	Very high	16 Å²	16	23.4 Å²	23.4	10%	0.097	13%	0.128	C	C	.	.	H	α-helix	trans	-58.5	-35.3	170.7	172.3	0	0	0	0	111.3	F509 L510 I553 I554 E557 V627	V506-F509 PolarHBondContact O-N 2.72Å; V506-L510 HydrophobicContact CG1-CD1 3.98Å; V506-L510 HydrophobicContact CG1-CG 4.23Å; V506-L510 WeakPolarHBondContact O-CB 3.44Å; V506-L510 VanDerWaalsContact O-CG 3.29Å; V506-L510 WeakPolarHBondContact O-CG 3.47Å; V506-L510 PolarHBondContact O-N 3.45Å; V506-I553 HydrophobicContact CG2-CG2 3.98Å; V506-I554 HydrophobicContact CG1-CD1 3.35Å; V506-E557 HydrophobicContact CG1-CG 4.49Å; V506-E557 HydrophobicContact CG2-CB 4.1Å; V506-E557 HydrophobicContact CG2-CG 3.88Å; V506-V627 HydrophobicContact CG1-CG1 4.38Å
507	D	89.5	Confident	93.8	Very high	34 Å²	34	23.4 Å²	23.4	18%	0.182	13%	0.128	C	C	.	.	H	α-helix	trans	-70	-42.7	-178.8	-53.3	-47.6	0	0	0	111.1	S505 S511 R631	S505-D507 PolarHBondContact O-N 2.89Å; S505-D507 PolarHBondContact OG-N 3.49Å; S505-D507 VanDerWaalsContact OG-N 3.13Å; D507-S511 VanDerWaalsContact O-CB 3.29Å; D507-S511 WeakPolarHBondContact O-CB 3.34Å; D507-S511 PolarHBondContact O-N 2.98Å; D507-R631 IonicContact OD1-CZ 3.28Å; D507-R631 IonicContact OD1-NE 3.54Å; D507-R631 PolarHBondContact OD1-NE 2.81Å; D507-R631 IonicContact OD1-NH2 2.89Å; D507-R631 IonicContact OD2-CZ 3.67Å; D507-R631 IonicContact OD2-NE 2.8Å; D507-R631 PolarHBondContact OD2-NE 3.05Å; D507-R631 VanDerWaalsContact OD2-NE 3.1Å
508	D	92	Very high	93.7	Very high	12 Å²	12	25.5 Å²	25.5	6%	0.064	14%	0.139	C	C	.	.	H	α-helix	trans	-64.9	-41	173.3	-73	-41	0	0	0	110.5	R381 M385 S505 S511 V512	R381-D508 WeakPolarHBondContact CB-OD2 3.26Å; R381-D508 VanDerWaalsContact CD-OD2 3.32Å; R381-D508 WeakPolarHBondContact CD-OD2 3.44Å; R381-D508 IonicContact CZ-OD2 3.9Å; R381-D508 IonicContact NE-OD2 3.64Å; R381-D508 PolarHBondContact NE-OD2 2.89Å; M385-D508 HydrophobicContact CG-CB 3.8Å; S505-D508 PolarHBondContact O-N 3.32Å; S505-D508 PolarHBondContact OG-N 2.91Å; D508-S511 PolarHBondContact O-N 2.81Å; D508-V512 WeakPolarHBondContact O-CB 3.28Å; D508-V512 WeakPolarHBondContact O-CG2 3.44Å; D508-V512 PolarHBondContact O-N 2.85Å
509	F	94.7	Very high	93.6	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.009	13%	0.129	C	C	.	.	H	α-helix	trans	-61	-47.6	176.2	179	-97.6	0	0	0	112.6	M385 S505 V506 V512 S513 R549 V550 I553	M385-F509 HydrophobicContact CE-CB 3.52Å; M385-F509 HydrophobicContact CE-CD2 3.45Å; M385-F509 VanDerWaalsContact CE-CD2 3.45Å; M385-F509 HydrophobicContact CE-CG 3.94Å; S505-F509 WeakPolarHBondContact O-CB 3.37Å; S505-F509 PolarHBondContact O-N 3.15Å; V506-F509 PolarHBondContact O-N 2.72Å; F509-V512 PolarHBondContact O-N 3.42Å; F509-S513 WeakPolarHBondContact CE1-OG 3.35Å; F509-S513 WeakPolarHBondContact CE2-OG 3.42Å; F509-S513 VanDerWaalsContact CZ-OG 3.22Å; F509-S513 WeakPolarHBondContact CZ-OG 3.08Å; F509-S513 WeakPolarHBondContact O-CB 3.43Å; F509-S513 PolarHBondContact O-N 3.41Å; F509-S513 PolarHBondContact O-OG 2.9Å; F509-R549 HydrophobicContact CZ-CB 4.03Å; F509-V550 HydrophobicContact CE1-CB 4.37Å; F509-V550 HydrophobicContact CE1-CG2 3.71Å; F509-V550 HydrophobicContact CZ-CG2 4.24Å; F509-I553 HydrophobicContact CD1-CD1 3.77Å; F509-I553 HydrophobicContact CD1-CG2 4.31Å; F509-I553 HydrophobicContact CD2-CD1 3.92Å; F509-I553 HydrophobicContact CE1-CB 4.46Å; F509-I553 HydrophobicContact CE1-CD1 3.46Å; F509-I553 VanDerWaalsContact CE1-CD1 3.46Å; F509-I553 HydrophobicContact CE2-CD1 3.6Å; F509-I553 HydrophobicContact CG-CD1 4.01Å; F509-I553 HydrophobicContact CZ-CD1 3.38Å
510	L	94.6	Very high	93.6	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-65.4	-44	178.8	-73.6	175.4	0	0	0	111.3	V506 V512 S513 E514 V550 I554 I623 R624 V627	V506-L510 HydrophobicContact CG1-CD1 3.98Å; V506-L510 HydrophobicContact CG1-CG 4.23Å; V506-L510 WeakPolarHBondContact O-CB 3.44Å; V506-L510 VanDerWaalsContact O-CG 3.29Å; V506-L510 WeakPolarHBondContact O-CG 3.47Å; V506-L510 PolarHBondContact O-N 3.45Å; L510-V512 VanDerWaalsContact C-N 3.34Å; L510-V512 PolarHBondContact O-N 3.49Å; L510-S513 PolarHBondContact O-N 3.43Å; L510-E514 VanDerWaalsContact O-CB 3.26Å; L510-E514 WeakPolarHBondContact O-CB 3.4Å; L510-E514 PolarHBondContact O-N 3.19Å; L510-V550 HydrophobicContact CD2-CG1 3.81Å; L510-I554 HydrophobicContact CD1-CD1 3.81Å; L510-I554 HydrophobicContact CD2-CD1 4.03Å; L510-I554 HydrophobicContact CD2-CG1 4.13Å; L510-I554 HydrophobicContact CG-CD1 4.14Å; L510-I623 HydrophobicContact CD2-CG2 4.26Å; L510-R624 HydrophobicContact CB-CB 4.12Å; L510-R624 HydrophobicContact CB-CG 3.9Å; L510-R624 HydrophobicContact CD1-CB 4.21Å; L510-R624 HydrophobicContact CD1-CG 4.3Å; L510-V627 HydrophobicContact CD1-CB 3.91Å; L510-V627 HydrophobicContact CD1-CG1 4.05Å; L510-V627 HydrophobicContact CD1-CG2 3.89Å
511	S	92	Very high	93.5	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.014	13%	0.129	C	C	.	.	H	α-helix	trans	-59.7	-44	177.6	179.4	0	0	0	0	111.7	K382 D507 D508 N515	K382-S511 PolarHBondContact NZ-OG 2.97Å; D507-S511 VanDerWaalsContact O-CB 3.29Å; D507-S511 WeakPolarHBondContact O-CB 3.34Å; D507-S511 PolarHBondContact O-N 2.98Å; D508-S511 PolarHBondContact O-N 2.81Å; S511-N515 PolarHBondContact O-N 3.5Å; S511-N515 PolarHBondContact O-ND2 3.48Å
512	V	93.5	Very high	93.5	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-72.6	-43.3	178	170.1	0	0	0	0	111.7	K382 M385 D386 D508 F509 L510 E514 N515 H516	K382-V512 HydrophobicContact CB-CG2 3.94Å; K382-V512 HydrophobicContact CG-CG2 4.14Å; M385-V512 HydrophobicContact CB-CB 3.94Å; M385-V512 HydrophobicContact CB-CG1 4.12Å; M385-V512 HydrophobicContact CB-CG2 3.81Å; D386-V512 WeakPolarHBondContact OD1-CG1 3.43Å; D508-V512 WeakPolarHBondContact O-CB 3.28Å; D508-V512 WeakPolarHBondContact O-CG2 3.44Å; D508-V512 PolarHBondContact O-N 2.85Å; F509-V512 PolarHBondContact O-N 3.42Å; L510-V512 VanDerWaalsContact C-N 3.34Å; L510-V512 PolarHBondContact O-N 3.49Å; V512-E514 VanDerWaalsContact C-N 3.34Å; V512-E514 PolarHBondContact O-N 2.79Å; V512-N515 PolarHBondContact O-N 2.9Å; V512-H516 PolarHBondContact O-CD2 3.13Å; V512-H516 PolarHBondContact O-N 3.05Å
513	S	95.2	Very high	93.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.3	-35.9	-179.4	-61.6	0	0	0	0	112.6	F509 L510 H516 I517	F509-S513 WeakPolarHBondContact CE1-OG 3.35Å; F509-S513 WeakPolarHBondContact CE2-OG 3.42Å; F509-S513 VanDerWaalsContact CZ-OG 3.22Å; F509-S513 WeakPolarHBondContact CZ-OG 3.08Å; F509-S513 WeakPolarHBondContact O-CB 3.43Å; F509-S513 PolarHBondContact O-N 3.41Å; F509-S513 PolarHBondContact O-OG 2.9Å; L510-S513 PolarHBondContact O-N 3.43Å; S513-H516 PolarHBondContact O-N 3.44Å; S513-I517 WeakPolarHBondContact O-CB 3.21Å; S513-I517 VanDerWaalsContact O-CG1 3.26Å; S513-I517 WeakPolarHBondContact O-CG1 3.31Å; S513-I517 PolarHBondContact O-N 2.95Å
514	E	93.9	Very high	93.6	Very high	11 Å²	11	24.5 Å²	24.5	5%	0.051	13%	0.129	C	C	.	.	H	α-helix	trans	-57.6	-48.2	172.1	177.5	-177.3	174.8	0	0	111.3	L510 V512 I517 L518 Y617 V620 R621 R624	L510-E514 VanDerWaalsContact O-CB 3.26Å; L510-E514 WeakPolarHBondContact O-CB 3.4Å; L510-E514 PolarHBondContact O-N 3.19Å; V512-E514 VanDerWaalsContact C-N 3.34Å; V512-E514 PolarHBondContact O-N 2.79Å; E514-I517 PolarHBondContact O-N 3.23Å; E514-L518 PolarHBondContact O-N 2.97Å; E514-Y617 HydrophobicContact CG-CD2 4.23Å; E514-Y617 HydrophobicContact CG-CE2 3.51Å; E514-Y617 PolarHBondContact OE1-OH 3.27Å; E514-V620 HydrophobicContact CB-CG1 4.26Å; E514-R621 WeakPolarHBondContact OE1-CD 3.49Å; E514-R621 WeakPolarHBondContact OE1-CG 3.46Å; E514-R621 IonicContact OE1-NE 2.69Å; E514-R624 WeakPolarHBondContact OE2-CD 3.47Å; E514-R624 IonicContact OE2-CZ 3.1Å; E514-R624 IonicContact OE2-NE 2.7Å; E514-R624 IonicContact OE2-NH1 2.65Å; E514-R624 PolarHBondContact OE2-NH1 3.22Å
515	N	92.3	Very high	93.7	Very high	61 Å²	61	24.3 Å²	24.3	33%	0.326	13%	0.128	S	C	.	.	H	α-helix	trans	-66.2	-44	178.6	-72.4	-56.9	0	0	0	111.9	S511 V512 I517 L518 E519	S511-N515 PolarHBondContact O-N 3.5Å; S511-N515 PolarHBondContact O-ND2 3.48Å; V512-N515 PolarHBondContact O-N 2.9Å; N515-I517 VanDerWaalsContact C-N 3.34Å; N515-I517 PolarHBondContact O-N 3.16Å; N515-L518 WeakPolarHBondContact O-CB 3.41Å; N515-L518 PolarHBondContact O-N 3.38Å; N515-E519 WeakPolarHBondContact O-CG 3.45Å; N515-E519 PolarHBondContact O-N 3.1Å
516	H	94.6	Very high	93.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.9	-40.1	177.9	-75.4	-162.5	0	0	0	112.4	D386 S389 D390 V512 S513 L518 E519 D520 R546	D386-H516 IonicContact OD1-CE1 3.09Å; D386-H516 IonicContact OD1-NE2 3.7Å; D386-H516 PolarHBondContact OD1-NE2 2.92Å; S389-H516 PolarHBondContact OG-ND1 3.35Å; D390-H516 IonicContact OD1-CE1 2.74Å; D390-H516 IonicContact OD1-ND1 2.72Å; V512-H516 PolarHBondContact O-CD2 3.13Å; V512-H516 PolarHBondContact O-N 3.05Å; S513-H516 PolarHBondContact O-N 3.44Å; H516-L518 VanDerWaalsContact C-N 3.32Å; H516-E519 WeakPolarHBondContact O-CB 3.39Å; H516-E519 PolarHBondContact O-N 3.39Å; H516-D520 WeakPolarHBondContact O-CB 3.32Å; H516-D520 PolarHBondContact O-N 3.2Å; H516-R546 PolarHBondContact ND1-NH1 2.68Å
517	I	95.5	Very high	94	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65.5	-38.9	175.5	-73.7	174	0	0	0	110.5	S513 E514 N515 D520 V521 R546 V616 V620	S513-I517 WeakPolarHBondContact O-CB 3.21Å; S513-I517 VanDerWaalsContact O-CG1 3.26Å; S513-I517 WeakPolarHBondContact O-CG1 3.31Å; S513-I517 PolarHBondContact O-N 2.95Å; E514-I517 PolarHBondContact O-N 3.23Å; N515-I517 VanDerWaalsContact C-N 3.34Å; N515-I517 PolarHBondContact O-N 3.16Å; I517-D520 PolarHBondContact O-N 2.83Å; I517-V521 HydrophobicContact CG2-CG2 4.3Å; I517-V521 WeakPolarHBondContact O-CB 3.35Å; I517-V521 VanDerWaalsContact O-CG2 3.23Å; I517-V521 WeakPolarHBondContact O-CG2 3.43Å; I517-V521 PolarHBondContact O-N 2.95Å; I517-R546 HydrophobicContact CD1-CB 3.93Å; I517-R546 HydrophobicContact CG1-CB 3.89Å; I517-V616 HydrophobicContact CG2-CG1 4.05Å; I517-V620 HydrophobicContact CD1-CB 4.34Å; I517-V620 HydrophobicContact CD1-CG1 4.23Å; I517-V620 HydrophobicContact CD1-CG2 3.5Å
518	L	94	Very high	94.2	Very high	61 Å²	61	24.4 Å²	24.4	32%	0.319	12%	0.124	S	C	.	.	H	α-helix	trans	-63	-43.4	174.1	-175.6	59.9	0	0	0	112.2	E514 N515 H516 V521 N522 Y617	E514-L518 PolarHBondContact O-N 2.97Å; N515-L518 WeakPolarHBondContact O-CB 3.41Å; N515-L518 PolarHBondContact O-N 3.38Å; H516-L518 VanDerWaalsContact C-N 3.32Å; L518-V521 PolarHBondContact O-N 3.17Å; L518-N522 VanDerWaalsContact O-CG 3.31Å; L518-N522 PolarHBondContact O-N 3.17Å; L518-N522 PolarHBondContact O-ND2 3.21Å; L518-N522 VanDerWaalsContact O-ND2 3.16Å; L518-Y617 HydrophobicContact CB-CD2 3.71Å; L518-Y617 HydrophobicContact CB-CE2 3.85Å; L518-Y617 HydrophobicContact CD1-CD2 4.03Å; L518-Y617 HydrophobicContact CD1-CE2 4.27Å; L518-Y617 HydrophobicContact CD1-CG 4.21Å; L518-Y617 HydrophobicContact CD2-CE2 4.07Å; L518-Y617 HydrophobicContact CG-CD2 4.31Å; L518-Y617 HydrophobicContact CG-CE2 4.29Å
519	E	93.3	Very high	94.1	Very high	52 Å²	52	29.8 Å²	29.8	24%	0.243	15%	0.149	C	C	.	.	H	α-helix	trans	-58.8	-47	173.7	-71.8	172.8	-159.1	0	0	111.7	R324 N515 H516 N522 K523	R324-E519 IonicContact CZ-OE2 2.93Å; R324-E519 IonicContact NE-OE1 3.13Å; R324-E519 IonicContact NE-OE2 3.99Å; R324-E519 PolarHBondContact NE-OE2 2.68Å; R324-E519 IonicContact NH2-OE2 2.67Å; N515-E519 WeakPolarHBondContact O-CG 3.45Å; N515-E519 PolarHBondContact O-N 3.1Å; H516-E519 WeakPolarHBondContact O-CB 3.39Å; H516-E519 PolarHBondContact O-N 3.39Å; E519-N522 PolarHBondContact O-N 3Å; E519-K523 WeakPolarHBondContact O-CG 3.38Å; E519-K523 PolarHBondContact O-N 2.88Å
520	D	96	Very high	94.1	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.032	18%	0.181	C	C	.	.	H	α-helix	trans	-68.7	-38.2	-178.7	-66.3	-23.6	0	0	0	110.9	H516 I517 N522 K523 C524 T539 I543 R546	H516-D520 WeakPolarHBondContact O-CB 3.32Å; H516-D520 PolarHBondContact O-N 3.2Å; I517-D520 PolarHBondContact O-N 2.83Å; D520-N522 PolarHBondContact O-N 2.97Å; D520-K523 PolarHBondContact O-N 2.64Å; D520-K523 IonicContact OD1-NZ 2.65Å; D520-K523 PolarHBondContact OD1-NZ 2.98Å; D520-C524 PolarHBondContact O-N 2.88Å; D520-T539 HydrophobicContact CB-CG2 3.93Å; D520-T539 WeakPolarHBondContact O-CG2 3.39Å; D520-I543 HydrophobicContact CB-CD1 4.1Å; D520-I543 HydrophobicContact CB-CG1 3.57Å; D520-R546 IonicContact OD2-CZ 3.79Å; D520-R546 IonicContact OD2-NE 3.7Å; D520-R546 PolarHBondContact OD2-NE 3.48Å; D520-R546 IonicContact OD2-NH2 2.92Å; D520-R546 PolarHBondContact OD2-NH2 3.46Å
521	V	95.7	Very high	93.9	Very high	6 Å²	6	38.3 Å²	38.3	4%	0.036	20%	0.198	C	C	.	.	H	α-helix	trans	-59.4	-46.6	171.8	162.6	0	0	0	0	110.9	I517 L518 K523 C524 V525 I543	I517-V521 HydrophobicContact CG2-CG2 4.3Å; I517-V521 WeakPolarHBondContact O-CB 3.35Å; I517-V521 VanDerWaalsContact O-CG2 3.23Å; I517-V521 WeakPolarHBondContact O-CG2 3.43Å; I517-V521 PolarHBondContact O-N 2.95Å; L518-V521 PolarHBondContact O-N 3.17Å; V521-K523 VanDerWaalsContact C-N 3.34Å; V521-K523 PolarHBondContact O-N 3.37Å; V521-C524 WeakPolarHBondContact O-CB 3.27Å; V521-C524 PolarHBondContact O-N 3.38Å; V521-V525 WeakPolarHBondContact O-CG2 3.48Å; V521-V525 PolarHBondContact O-N 3.41Å; V521-I543 HydrophobicContact CG2-CD1 3.94Å
522	N	94.3	Very high	94	Very high	87 Å²	87	41 Å²	41	47%	0.465	21%	0.212	S	C	.	.	H	α-helix	trans	-62.7	-41	177.5	-72.4	-33.7	0	0	0	111.8	L518 E519 D520 V525 I526	L518-N522 VanDerWaalsContact O-CG 3.31Å; L518-N522 PolarHBondContact O-N 3.17Å; L518-N522 PolarHBondContact O-ND2 3.21Å; L518-N522 VanDerWaalsContact O-ND2 3.16Å; E519-N522 PolarHBondContact O-N 3Å; D520-N522 PolarHBondContact O-N 2.97Å; N522-V525 PolarHBondContact O-N 3.29Å; N522-I526 WeakPolarHBondContact O-CG1 3.48Å; N522-I526 PolarHBondContact O-N 3.41Å
523	K	95.6	Very high	94	Very high	94 Å²	94	42.5 Å²	42.5	41%	0.409	22%	0.222	S	C	.	.	H	α-helix	trans	-63	-40.5	174.4	-72.9	171.7	-165.8	159	0	112.2	E519 D520 V521 I526 A527 T539	E519-K523 WeakPolarHBondContact O-CG 3.38Å; E519-K523 PolarHBondContact O-N 2.88Å; D520-K523 PolarHBondContact O-N 2.64Å; D520-K523 IonicContact OD1-NZ 2.65Å; D520-K523 PolarHBondContact OD1-NZ 2.98Å; V521-K523 VanDerWaalsContact C-N 3.34Å; V521-K523 PolarHBondContact O-N 3.37Å; K523-I526 PolarHBondContact O-N 3.07Å; K523-A527 WeakPolarHBondContact O-CB 3.39Å; K523-A527 PolarHBondContact O-N 3.12Å; K523-T539 HydrophobicContact CB-CG2 3.81Å
524	C	95.1	Very high	94	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.2	-45.3	173.8	-87.2	0	0	0	0	111.7	D520 V521 A527 L528 L536 T539 I543 F609	D520-C524 PolarHBondContact O-N 2.88Å; V521-C524 WeakPolarHBondContact O-CB 3.27Å; V521-C524 PolarHBondContact O-N 3.38Å; C524-A527 PolarHBondContact O-N 3.27Å; C524-L528 VanDerWaalsContact O-CB 3.26Å; C524-L528 WeakPolarHBondContact O-CB 3.43Å; C524-L528 PolarHBondContact O-N 2.97Å; C524-L536 HydrophobicContact CB-CD1 4.17Å; C524-T539 HydrophobicContact CB-CG2 4.46Å; C524-T539 VanDerWaalsContact SG-CB 3.57Å; C524-T539 WeakPolarHBondContact SG-CG2 3.43Å; C524-I543 HydrophobicContact CB-CD1 4.47Å; C524-F609 HydrophobicContact CB-CE1 4.22Å; C524-F609 HydrophobicContact CB-CZ 4.1Å
525	V	93.4	Very high	94.1	Very high	22 Å²	22	50.3 Å²	50.3	13%	0.133	27%	0.265	C	S	.	.	H	α-helix	trans	-64.8	-40.8	178.8	175.4	0	0	0	0	111.5	V521 N522 L528 Q529 F609 I610	V521-V525 WeakPolarHBondContact O-CG2 3.48Å; V521-V525 PolarHBondContact O-N 3.41Å; N522-V525 PolarHBondContact O-N 3.29Å; V525-L528 WeakPolarHBondContact O-CB 3.45Å; V525-L528 PolarHBondContact O-N 3.44Å; V525-Q529 WeakPolarHBondContact O-CG 3.31Å; V525-Q529 PolarHBondContact O-N 3.33Å; V525-F609 HydrophobicContact CG2-CE1 4.4Å; V525-I610 HydrophobicContact CG1-CD1 4.33Å; V525-I610 HydrophobicContact CG1-CG1 4.22Å; V525-I610 HydrophobicContact CG2-CG1 4.04Å
526	I	94.5	Very high	94.3	Very high	86 Å²	86	47.4 Å²	47.4	44%	0.441	25%	0.25	S	C	.	.	H	α-helix	trans	-64.8	-48.8	176	-66.8	165.4	0	0	0	110.8	N522 K523 L528 Q529 E530	N522-I526 WeakPolarHBondContact O-CG1 3.48Å; N522-I526 PolarHBondContact O-N 3.41Å; K523-I526 PolarHBondContact O-N 3.07Å; I526-L528 PolarHBondContact O-N 3.21Å; I526-Q529 PolarHBondContact O-N 2.75Å; I526-Q529 VanDerWaalsContact O-N 3.09Å; I526-E530 HydrophobicContact CG2-CG 4.35Å; I526-E530 WeakPolarHBondContact O-CG 3.34Å; I526-E530 PolarHBondContact O-N 3.35Å
527	A	94.9	Very high	94.3	Very high	3 Å²	3	51.3 Å²	51.3	3%	0.025	27%	0.271	C	S	.	.	H	α-helix	trans	-59.5	-38.2	179.1	0	0	0	0	0	111.9	K523 C524 E530 G531 D532 T535 L536	K523-A527 WeakPolarHBondContact O-CB 3.39Å; K523-A527 PolarHBondContact O-N 3.12Å; C524-A527 PolarHBondContact O-N 3.27Å; A527-E530 PolarHBondContact O-N 3.46Å; A527-G531 PolarHBondContact O-N 2.83Å; A527-D532 PolarHBondContact O-N 2.91Å; A527-T535 HydrophobicContact CB-CG2 3.93Å; A527-L536 HydrophobicContact CB-CB 4.15Å
528	L	92.8	Very high	94.2	Very high	6 Å²	6	59.3 Å²	59.3	3%	0.031	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-46	173.9	-176.3	70.1	0	0	0	112.3	C524 V525 I526 E530 G531 L536 A592 L596 F604 E606 F609	C524-L528 VanDerWaalsContact O-CB 3.26Å; C524-L528 WeakPolarHBondContact O-CB 3.43Å; C524-L528 PolarHBondContact O-N 2.97Å; V525-L528 WeakPolarHBondContact O-CB 3.45Å; V525-L528 PolarHBondContact O-N 3.44Å; I526-L528 PolarHBondContact O-N 3.21Å; L528-E530 VanDerWaalsContact C-N 3.33Å; L528-E530 PolarHBondContact O-N 3.5Å; L528-G531 PolarHBondContact O-N 3.5Å; L528-L536 HydrophobicContact CD1-CD2 4.01Å; L528-A592 HydrophobicContact CD1-CB 3.69Å; L528-L596 HydrophobicContact CD1-CD1 4.11Å; L528-F604 HydrophobicContact CD1-CE1 4.33Å; L528-F604 HydrophobicContact CD1-CE2 3.62Å; L528-F604 HydrophobicContact CD1-CZ 3.43Å; L528-F604 VanDerWaalsContact CD1-CZ 3.43Å; L528-F604 HydrophobicContact CD2-CE2 3.86Å; L528-F604 HydrophobicContact CD2-CZ 4.16Å; L528-F604 HydrophobicContact CG-CE2 3.91Å; L528-F604 HydrophobicContact CG-CZ 3.71Å; L528-E606 HydrophobicContact CD2-CG 3.98Å; L528-F609 HydrophobicContact CD2-CB 4.12Å; L528-F609 HydrophobicContact CD2-CD1 3.34Å; L528-F609 HydrophobicContact CD2-CD2 4.39Å; L528-F609 HydrophobicContact CD2-CE1 3.8Å; L528-F609 HydrophobicContact CD2-CG 3.68Å; L528-F609 HydrophobicContact CD2-CZ 4.49Å
529	Q	91.2	Very high	94.3	Very high	124 Å²	124	57.1 Å²	57.1	58%	0.579	29%	0.29	S	S	*	.	H	α-helix	trans	-67.4	-32.9	178.9	-73.5	175.3	-8.8	0	0	112.9	V525 I526 G531 E606	V525-Q529 WeakPolarHBondContact O-CG 3.31Å; V525-Q529 PolarHBondContact O-N 3.33Å; I526-Q529 PolarHBondContact O-N 2.75Å; I526-Q529 VanDerWaalsContact O-N 3.09Å; Q529-G531 VanDerWaalsContact C-N 3.34Å; Q529-E606 VanDerWaalsContact CG-OE1 3.23Å; Q529-E606 WeakPolarHBondContact CG-OE1 3.32Å; Q529-E606 PolarHBondContact NE2-OE1 3.19Å
530	E	93.2	Very high	94.4	Very high	147 Å²	147	54.6 Å²	54.6	69%	0.687	28%	0.278	S	S	*	.	H	α-helix	trans	-82.8	-11.8	176.4	-67.4	-178.1	166.3	0	0	113	I526 A527 L528 D532	I526-E530 HydrophobicContact CG2-CG 4.35Å; I526-E530 WeakPolarHBondContact O-CG 3.34Å; I526-E530 PolarHBondContact O-N 3.35Å; A527-E530 PolarHBondContact O-N 3.46Å; L528-E530 VanDerWaalsContact C-N 3.33Å; L528-E530 PolarHBondContact O-N 3.5Å; E530-D532 VanDerWaalsContact C-N 3.3Å
531	G	90.6	Very high	94.3	Very high	35 Å²	35	55 Å²	55	36%	0.361	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	21.2	-176.3	0	0	0	0	0	114	A527 L528 Q529 V533	A527-G531 PolarHBondContact O-N 2.83Å; L528-G531 PolarHBondContact O-N 3.5Å; Q529-G531 VanDerWaalsContact C-N 3.34Å; G531-V533 PolarHBondContact O-N 2.96Å
532	D	94.7	Very high	94.3	Very high	59 Å²	59	55.4 Å²	55.4	32%	0.316	29%	0.288	S	S	.	.			trans	-83.6	92.5	178.2	-175.5	-7.8	0	0	0	110.8	A527 E530 D534 T535 L536	A527-D532 PolarHBondContact O-N 2.91Å; E530-D532 VanDerWaalsContact C-N 3.3Å; D532-D534 PolarHBondContact O-N 3.34Å; D532-D534 PolarHBondContact OD1-N 3.49Å; D532-T535 VanDerWaalsContact CG-CB 3.45Å; D532-T535 VanDerWaalsContact CG-OG1 3.24Å; D532-T535 PolarHBondContact OD1-N 3.07Å; D532-T535 VanDerWaalsContact OD1-N 3.09Å; D532-T535 PolarHBondContact OD1-OG1 2.95Å; D532-T535 WeakPolarHBondContact OD2-CB 3.28Å; D532-T535 PolarHBondContact OD2-OG1 2.8Å; D532-L536 VanDerWaalsContact O-CB 3.31Å; D532-L536 WeakPolarHBondContact O-CB 3.5Å; D532-L536 PolarHBondContact O-N 2.8Å
533	V	94	Very high	94.4	Very high	33 Å²	33	51.3 Å²	51.3	20%	0.2	27%	0.266	C	S	.	.	H	α-helix	trans	-63.8	-39.5	-177.7	179.5	0	0	0	0	112.5	G531 L536 D537 I593 L596	G531-V533 PolarHBondContact O-N 2.96Å; V533-L536 PolarHBondContact O-N 3.49Å; V533-D537 PolarHBondContact O-N 2.85Å; V533-I593 HydrophobicContact CG1-CB 4.48Å; V533-I593 HydrophobicContact CG1-CG1 4.3Å; V533-I593 HydrophobicContact CG1-CG2 3.84Å; V533-L596 HydrophobicContact CG2-CB 3.62Å; V533-L596 HydrophobicContact CG2-CD1 4.23Å
534	D	94.7	Very high	94.4	Very high	124 Å²	124	51.5 Å²	51.5	66%	0.663	26%	0.264	S	S	*	.	H	α-helix	trans	-69.3	-41.1	-176.3	-72.4	-29.9	0	0	0	111.1	D532 R538	D532-D534 PolarHBondContact O-N 3.34Å; D532-D534 PolarHBondContact OD1-N 3.49Å; D534-R538 WeakPolarHBondContact O-CB 3.47Å; D534-R538 PolarHBondContact O-N 3.25Å
535	T	95.9	Very high	94.4	Very high	50 Å²	50	52.5 Å²	52.5	31%	0.307	27%	0.274	S	S	.	.	H	α-helix	trans	-69.7	-38.2	175	-62.2	0	0	0	0	111.2	A527 D532 T539	A527-T535 HydrophobicContact CB-CG2 3.93Å; D532-T535 VanDerWaalsContact CG-CB 3.45Å; D532-T535 VanDerWaalsContact CG-OG1 3.24Å; D532-T535 PolarHBondContact OD1-N 3.07Å; D532-T535 VanDerWaalsContact OD1-N 3.09Å; D532-T535 PolarHBondContact OD1-OG1 2.95Å; D532-T535 WeakPolarHBondContact OD2-CB 3.28Å; D532-T535 PolarHBondContact OD2-OG1 2.8Å; T535-T539 VanDerWaalsContact O-CB 3.26Å; T535-T539 WeakPolarHBondContact O-CB 3.44Å; T535-T539 PolarHBondContact O-N 2.65Å; T535-T539 PolarHBondContact O-OG1 3.32Å
536	L	96.2	Very high	94.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.2	-51.2	176	177.5	60.6	0	0	0	111.7	C524 A527 L528 D532 V533 T539 A540 A592 I593 L596 F609	C524-L536 HydrophobicContact CB-CD1 4.17Å; A527-L536 HydrophobicContact CB-CB 4.15Å; L528-L536 HydrophobicContact CD1-CD2 4.01Å; D532-L536 VanDerWaalsContact O-CB 3.31Å; D532-L536 WeakPolarHBondContact O-CB 3.5Å; D532-L536 PolarHBondContact O-N 2.8Å; V533-L536 PolarHBondContact O-N 3.49Å; L536-T539 PolarHBondContact O-N 3.1Å; L536-A540 VanDerWaalsContact O-CB 3.29Å; L536-A540 WeakPolarHBondContact O-CB 3.5Å; L536-A540 PolarHBondContact O-N 3.18Å; L536-A592 HydrophobicContact CD2-CB 4.17Å; L536-I593 HydrophobicContact CD2-CG1 3.94Å; L536-I593 HydrophobicContact CG-CG1 4.32Å; L536-L596 HydrophobicContact CD2-CD1 4.24Å; L536-F609 HydrophobicContact CD1-CE2 4.29Å; L536-F609 HydrophobicContact CD1-CZ 3.8Å
537	D	94.6	Very high	94.7	Very high	82 Å²	82	47.8 Å²	47.8	44%	0.439	25%	0.249	S	C	.	.	H	α-helix	trans	-63	-46.2	-179.4	-176.1	49.7	0	0	0	111.8	V533 T539 A540 G541 R544 I593	V533-D537 PolarHBondContact O-N 2.85Å; D537-T539 PolarHBondContact O-N 3.46Å; D537-A540 PolarHBondContact O-N 2.93Å; D537-G541 PolarHBondContact O-N 3.19Å; D537-R544 IonicContact OD1-NH2 3.08Å; D537-I593 HydrophobicContact CB-CD1 3.81Å
538	R	93.4	Very high	94.7	Very high	169 Å²	169	50.3 Å²	50.3	64%	0.638	27%	0.269	S	S	*	.	H	α-helix	trans	-60.2	-45.4	177.6	-177.1	-178.1	-74.5	109	-1.2	111.8	D534 G541 A542	D534-R538 WeakPolarHBondContact O-CB 3.47Å; D534-R538 PolarHBondContact O-N 3.25Å; R538-G541 PolarHBondContact O-N 3.12Å; R538-A542 PolarHBondContact O-N 3.1Å
539	T	95.4	Very high	94.9	Very high	14 Å²	14	51.4 Å²	51.4	9%	0.086	27%	0.273	C	S	.	.	H	α-helix	trans	-69.9	-38.7	-178.5	-51.9	0	0	0	0	111.3	D520 K523 C524 T535 L536 D537 G541 A542 I543	D520-T539 HydrophobicContact CB-CG2 3.93Å; D520-T539 WeakPolarHBondContact O-CG2 3.39Å; K523-T539 HydrophobicContact CB-CG2 3.81Å; C524-T539 HydrophobicContact CB-CG2 4.46Å; C524-T539 VanDerWaalsContact SG-CB 3.57Å; C524-T539 WeakPolarHBondContact SG-CG2 3.43Å; T535-T539 VanDerWaalsContact O-CB 3.26Å; T535-T539 WeakPolarHBondContact O-CB 3.44Å; T535-T539 PolarHBondContact O-N 2.65Å; T535-T539 PolarHBondContact O-OG1 3.32Å; L536-T539 PolarHBondContact O-N 3.1Å; D537-T539 PolarHBondContact O-N 3.46Å; T539-G541 VanDerWaalsContact C-N 3.32Å; T539-G541 PolarHBondContact O-N 2.78Å; T539-A542 WeakPolarHBondContact O-CB 3.34Å; T539-A542 PolarHBondContact O-N 3.13Å; T539-A542 VanDerWaalsContact O-N 3.17Å; T539-I543 WeakPolarHBondContact O-CG1 3.31Å; T539-I543 PolarHBondContact O-N 3.25Å
540	A	96.1	Very high	95.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.8	-36	172.8	0	0	0	0	0	112.2	L536 D537 I543 R544 F585 V589	L536-A540 VanDerWaalsContact O-CB 3.29Å; L536-A540 WeakPolarHBondContact O-CB 3.5Å; L536-A540 PolarHBondContact O-N 3.18Å; D537-A540 PolarHBondContact O-N 2.93Å; A540-I543 PolarHBondContact O-N 3.04Å; A540-R544 WeakPolarHBondContact O-CG 3.41Å; A540-R544 PolarHBondContact O-N 2.89Å; A540-R544 PolarHBondContact O-NE 2.88Å; A540-F585 HydrophobicContact CB-CE1 4.13Å; A540-F585 HydrophobicContact CB-CZ 4.03Å; A540-V589 HydrophobicContact CB-CB 4.33Å; A540-V589 HydrophobicContact CB-CG1 3.64Å; A540-V589 HydrophobicContact CB-CG2 3.72Å
541	G	94.5	Very high	95.3	Very high	15 Å²	15	39.8 Å²	39.8	16%	0.155	22%	0.219	C	C	.	.	H	α-helix	trans	-55.5	-49	168.1	0	0	0	0	0	112.2	D537 R538 T539 I543 R544 G545	D537-G541 PolarHBondContact O-N 3.19Å; R538-G541 PolarHBondContact O-N 3.12Å; T539-G541 VanDerWaalsContact C-N 3.32Å; T539-G541 PolarHBondContact O-N 2.78Å; G541-I543 PolarHBondContact O-N 3.36Å; G541-R544 PolarHBondContact O-N 2.92Å; G541-G545 PolarHBondContact O-N 3.32Å
542	A	95	Very high	95.5	Very high	14 Å²	14	42.8 Å²	42.8	12%	0.116	22%	0.224	C	C	.	.	H	α-helix	trans	-61.1	-44.7	177.7	0	0	0	0	0	112.7	L393 R538 T539 R544 G545 R546	L393-A542 HydrophobicContact CD2-CB 3.92Å; R538-A542 PolarHBondContact O-N 3.1Å; T539-A542 WeakPolarHBondContact O-CB 3.34Å; T539-A542 PolarHBondContact O-N 3.13Å; T539-A542 VanDerWaalsContact O-N 3.17Å; A542-R544 PolarHBondContact O-N 3.38Å; A542-G545 PolarHBondContact O-N 2.92Å; A542-R546 WeakPolarHBondContact O-CG 3.33Å; A542-R546 PolarHBondContact O-N 3.35Å
543	I	96.8	Very high	95.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.2	-47.9	175.3	-67.8	169.7	0	0	0	110.8	D520 V521 C524 T539 A540 G541 G545 R546 A547 M582 F585 V616	D520-I543 HydrophobicContact CB-CD1 4.1Å; D520-I543 HydrophobicContact CB-CG1 3.57Å; V521-I543 HydrophobicContact CG2-CD1 3.94Å; C524-I543 HydrophobicContact CB-CD1 4.47Å; T539-I543 WeakPolarHBondContact O-CG1 3.31Å; T539-I543 PolarHBondContact O-N 3.25Å; A540-I543 PolarHBondContact O-N 3.04Å; G541-I543 PolarHBondContact O-N 3.36Å; I543-G545 PolarHBondContact O-N 3.34Å; I543-R546 PolarHBondContact O-N 3.5Å; I543-A547 WeakPolarHBondContact O-CB 3.4Å; I543-A547 PolarHBondContact O-N 3.48Å; I543-M582 HydrophobicContact CG2-CE 4.49Å; I543-F585 HydrophobicContact CB-CE1 4.03Å; I543-F585 HydrophobicContact CB-CZ 4.25Å; I543-F585 HydrophobicContact CD1-CE1 4.34Å; I543-F585 HydrophobicContact CD1-CE2 4.35Å; I543-F585 HydrophobicContact CD1-CZ 3.68Å; I543-F585 HydrophobicContact CG2-CD1 4.28Å; I543-F585 HydrophobicContact CG2-CE1 3.75Å; I543-F585 HydrophobicContact CG2-CZ 4.08Å; I543-V616 HydrophobicContact CG2-CB 4.46Å; I543-V616 HydrophobicContact CG2-CG1 3.68Å
544	R	95.9	Very high	95.5	Very high	99 Å²	99	39 Å²	39	37%	0.374	20%	0.202	S	C	.	.	H	α-helix	trans	-59	-46.1	177.3	-73.7	-178.1	-68.2	-175.7	-2.7	111.7	D537 A540 G541 A542 A548 M582 F585	D537-R544 IonicContact OD1-NH2 3.08Å; A540-R544 WeakPolarHBondContact O-CG 3.41Å; A540-R544 PolarHBondContact O-N 2.89Å; A540-R544 PolarHBondContact O-NE 2.88Å; G541-R544 PolarHBondContact O-N 2.92Å; A542-R544 PolarHBondContact O-N 3.38Å; R544-A548 WeakPolarHBondContact O-CB 3.41Å; R544-A548 PolarHBondContact O-N 3.01Å; R544-M582 HydrophobicContact CB-CE 4.15Å; R544-M582 HydrophobicContact CG-CE 3.61Å; R544-F585 HydrophobicContact CG-CE1 4.46Å
545	G	95	Very high	95.5	Very high	20 Å²	20	36 Å²	36	21%	0.206	19%	0.186	C	C	.	.	H	α-helix	trans	-61.6	-44.5	177.7	0	0	0	0	0	112.7	G541 A542 I543 A548 R549	G541-G545 PolarHBondContact O-N 3.32Å; A542-G545 PolarHBondContact O-N 2.92Å; I543-G545 PolarHBondContact O-N 3.34Å; G545-A548 PolarHBondContact O-N 3.36Å; G545-R549 PolarHBondContact O-N 2.92Å
546	R	96.3	Very high	95.4	Very high	10 Å²	10	35.7 Å²	35.7	4%	0.038	19%	0.189	C	C	.	.	H	α-helix	trans	-69.2	-43.2	-178.2	-71.6	-169.8	-152.9	-88.1	4.8	111.1	S389 D390 L393 H516 I517 D520 A542 I543 A548 R549 V550	S389-R546 VanDerWaalsContact C-NH1 3.3Å; S389-R546 PolarHBondContact O-NH1 3.43Å; S389-R546 VanDerWaalsContact O-NH1 3.1Å; S389-R546 PolarHBondContact OG-NH1 3.46Å; D390-R546 IonicContact OD1-CZ 3.45Å; D390-R546 VanDerWaalsContact OD1-CZ 3.26Å; D390-R546 IonicContact OD1-NH1 3.1Å; D390-R546 PolarHBondContact OD1-NH1 3.3Å; D390-R546 IonicContact OD1-NH2 2.85Å; D390-R546 PolarHBondContact OD1-NH2 3.19Å; L393-R546 HydrophobicContact CD1-CB 4.35Å; L393-R546 HydrophobicContact CD1-CG 3.68Å; L393-R546 VanDerWaalsContact CD1-N 3.3Å; L393-R546 HydrophobicContact CD2-CG 4.11Å; H516-R546 PolarHBondContact ND1-NH1 2.68Å; I517-R546 HydrophobicContact CD1-CB 3.93Å; I517-R546 HydrophobicContact CG1-CB 3.89Å; D520-R546 IonicContact OD2-CZ 3.79Å; D520-R546 IonicContact OD2-NE 3.7Å; D520-R546 PolarHBondContact OD2-NE 3.48Å; D520-R546 IonicContact OD2-NH2 2.92Å; D520-R546 PolarHBondContact OD2-NH2 3.46Å; A542-R546 WeakPolarHBondContact O-CG 3.33Å; A542-R546 PolarHBondContact O-N 3.35Å; I543-R546 PolarHBondContact O-N 3.5Å; R546-A548 VanDerWaalsContact C-N 3.31Å; R546-A548 PolarHBondContact O-N 3.43Å; R546-R549 PolarHBondContact O-N 3.33Å; R546-V550 WeakPolarHBondContact O-CG2 3.31Å; R546-V550 PolarHBondContact O-N 3.3Å
547	A	97.4	Very high	95.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.9	-43.7	174.1	0	0	0	0	0	111.3	I543 R549 V550 I551 L577 M582	I543-A547 WeakPolarHBondContact O-CB 3.4Å; I543-A547 PolarHBondContact O-N 3.48Å; A547-R549 PolarHBondContact O-N 3.2Å; A547-V550 PolarHBondContact O-N 3.2Å; A547-I551 WeakPolarHBondContact O-CD1 3.21Å; A547-I551 VanDerWaalsContact O-CG1 3.31Å; A547-I551 WeakPolarHBondContact O-CG1 3.26Å; A547-I551 PolarHBondContact O-N 3.43Å; A547-L577 HydrophobicContact CB-CD2 4.43Å; A547-M582 HydrophobicContact CB-CE 4.11Å; A547-M582 HydrophobicContact CB-CG 4.07Å; A547-M582 HydrophobicContact CB-SD 3.52Å; A547-M582 VanDerWaalsContact CB-SD 3.52Å
548	A	95.9	Very high	94.9	Very high	56 Å²	56	34 Å²	34	46%	0.463	18%	0.178	S	C	.	.	H	α-helix	trans	-63	-40.4	175.7	0	0	0	0	0	112.8	R544 G545 R546 I551 H552	R544-A548 WeakPolarHBondContact O-CB 3.41Å; R544-A548 PolarHBondContact O-N 3.01Å; G545-A548 PolarHBondContact O-N 3.36Å; R546-A548 VanDerWaalsContact C-N 3.31Å; R546-A548 PolarHBondContact O-N 3.43Å; A548-I551 PolarHBondContact O-N 3.18Å; A548-H552 WeakPolarHBondContact O-CB 3.47Å; A548-H552 PolarHBondContact O-N 2.97Å
549	R	95.2	Very high	94.6	Very high	28 Å²	28	33.8 Å²	33.8	11%	0.106	19%	0.185	C	C	.	.	H	α-helix	trans	-62.6	-44.7	173.3	-78.2	-163.7	68.9	92.8	7.8	112.2	F392 D501 F509 G545 R546 A547 I551 H552 I553	F392-R549 VanDerWaalsContact CB-NH1 3.28Å; F392-R549 PolarHBondContact O-NH1 2.89Å; D501-R549 IonicContact OD1-NH2 3.87Å; D501-R549 PolarHBondContact OD1-NH2 3.46Å; D501-R549 IonicContact OD2-NH2 3.74Å; D501-R549 PolarHBondContact OD2-NH2 2.88Å; D501-R549 VanDerWaalsContact OD2-NH2 3.08Å; F509-R549 HydrophobicContact CZ-CB 4.03Å; G545-R549 PolarHBondContact O-N 2.92Å; R546-R549 PolarHBondContact O-N 3.33Å; A547-R549 PolarHBondContact O-N 3.2Å; R549-I551 VanDerWaalsContact C-N 3.34Å; R549-I551 PolarHBondContact O-N 3.36Å; R549-H552 PolarHBondContact O-N 2.95Å; R549-I553 WeakPolarHBondContact O-CB 3.44Å; R549-I553 WeakPolarHBondContact O-CG1 3.5Å; R549-I553 PolarHBondContact O-N 3.23Å
550	V	97	Very high	94.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-55.9	-50.3	174.8	169.7	0	0	0	0	110.5	F509 L510 R546 A547 H552 I554 V620 I623	F509-V550 HydrophobicContact CE1-CB 4.37Å; F509-V550 HydrophobicContact CE1-CG2 3.71Å; F509-V550 HydrophobicContact CZ-CG2 4.24Å; L510-V550 HydrophobicContact CD2-CG1 3.81Å; R546-V550 WeakPolarHBondContact O-CG2 3.31Å; R546-V550 PolarHBondContact O-N 3.3Å; A547-V550 PolarHBondContact O-N 3.2Å; V550-H552 VanDerWaalsContact C-N 3.33Å; V550-H552 PolarHBondContact O-N 3.36Å; V550-I554 HydrophobicContact CG1-CG1 4.42Å; V550-I554 WeakPolarHBondContact O-CB 3.24Å; V550-I554 VanDerWaalsContact O-CG1 3.23Å; V550-I554 WeakPolarHBondContact O-CG1 3.43Å; V550-I554 PolarHBondContact O-N 3.16Å; V550-V620 HydrophobicContact CG2-CG1 4.43Å; V550-I623 HydrophobicContact CG1-CD1 4.1Å; V550-I623 HydrophobicContact CG1-CG2 4.29Å
551	I	96.9	Very high	93.4	Very high	27 Å²	27	42.5 Å²	42.5	14%	0.138	23%	0.226	C	C	.	.	H	α-helix	trans	-58.2	-45.7	177.6	-70	155.9	0	0	0	111.3	A547 A548 R549 N555 T574 L577	A547-I551 WeakPolarHBondContact O-CD1 3.21Å; A547-I551 VanDerWaalsContact O-CG1 3.31Å; A547-I551 WeakPolarHBondContact O-CG1 3.26Å; A547-I551 PolarHBondContact O-N 3.43Å; A548-I551 PolarHBondContact O-N 3.18Å; R549-I551 VanDerWaalsContact C-N 3.34Å; R549-I551 PolarHBondContact O-N 3.36Å; I551-N555 WeakPolarHBondContact O-CB 3.38Å; I551-N555 PolarHBondContact O-N 3.5Å; I551-N555 PolarHBondContact O-ND2 3.42Å; I551-T574 HydrophobicContact CB-CG2 3.91Å; I551-T574 HydrophobicContact CG1-CG2 3.78Å; I551-T574 HydrophobicContact CG2-CG2 3.56Å; I551-L577 HydrophobicContact CD1-CD2 4.27Å; I551-L577 HydrophobicContact CD1-CG 4.26Å; I551-L577 HydrophobicContact CG1-CD2 4.2Å
552	H	94.9	Very high	92.3	Very high	98 Å²	98	49.1 Å²	49.1	45%	0.454	25%	0.253	S	S	.	.	H	α-helix	trans	-63.1	-52.1	-178.6	178	58.3	0	0	0	112.6	A548 R549 V550 I554 N555 A556	A548-H552 WeakPolarHBondContact O-CB 3.47Å; A548-H552 PolarHBondContact O-N 2.97Å; R549-H552 PolarHBondContact O-N 2.95Å; V550-H552 VanDerWaalsContact C-N 3.33Å; V550-H552 PolarHBondContact O-N 3.36Å; H552-I554 VanDerWaalsContact C-N 3.33Å; H552-I554 PolarHBondContact O-N 3.07Å; H552-N555 PolarHBondContact O-N 3.46Å; H552-A556 PolarHBondContact O-N 3.05Å
553	I	94.7	Very high	91.6	Very high	14 Å²	14	53.4 Å²	53.4	7%	0.072	29%	0.288	C	S	.	.	H	α-helix	trans	-62.3	-42.6	-178.5	-72.2	163.5	0	0	0	110.5	V506 F509 R549 A556 E557	V506-I553 HydrophobicContact CG2-CG2 3.98Å; F509-I553 HydrophobicContact CD1-CD1 3.77Å; F509-I553 HydrophobicContact CD1-CG2 4.31Å; F509-I553 HydrophobicContact CD2-CD1 3.92Å; F509-I553 HydrophobicContact CE1-CB 4.46Å; F509-I553 HydrophobicContact CE1-CD1 3.46Å; F509-I553 VanDerWaalsContact CE1-CD1 3.46Å; F509-I553 HydrophobicContact CE2-CD1 3.6Å; F509-I553 HydrophobicContact CG-CD1 4.01Å; F509-I553 HydrophobicContact CZ-CD1 3.38Å; R549-I553 WeakPolarHBondContact O-CB 3.44Å; R549-I553 WeakPolarHBondContact O-CG1 3.5Å; R549-I553 PolarHBondContact O-N 3.23Å; I553-A556 PolarHBondContact O-N 3.13Å; I553-E557 VanDerWaalsContact O-CB 3.28Å; I553-E557 WeakPolarHBondContact O-CB 3.39Å; I553-E557 PolarHBondContact O-N 2.88Å
554	I	94.8	Very high	90.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-68	-41.8	179.2	-65.6	-51.5	0	0	0	112	V506 L510 V550 H552 A556 E557 M558 V570 I623 V627	V506-I554 HydrophobicContact CG1-CD1 3.35Å; L510-I554 HydrophobicContact CD1-CD1 3.81Å; L510-I554 HydrophobicContact CD2-CD1 4.03Å; L510-I554 HydrophobicContact CD2-CG1 4.13Å; L510-I554 HydrophobicContact CG-CD1 4.14Å; V550-I554 HydrophobicContact CG1-CG1 4.42Å; V550-I554 WeakPolarHBondContact O-CB 3.24Å; V550-I554 VanDerWaalsContact O-CG1 3.23Å; V550-I554 WeakPolarHBondContact O-CG1 3.43Å; V550-I554 PolarHBondContact O-N 3.16Å; H552-I554 VanDerWaalsContact C-N 3.33Å; H552-I554 PolarHBondContact O-N 3.07Å; I554-A556 VanDerWaalsContact C-N 3.34Å; I554-A556 PolarHBondContact O-N 3.08Å; I554-E557 PolarHBondContact O-N 3.03Å; I554-M558 HydrophobicContact CG2-CG 4.23Å; I554-M558 WeakPolarHBondContact O-CB 3.49Å; I554-M558 WeakPolarHBondContact O-CG 3.32Å; I554-M558 PolarHBondContact O-N 2.97Å; I554-V570 HydrophobicContact CG2-CG1 3.27Å; I554-I623 HydrophobicContact CG1-CG2 3.82Å; I554-I623 HydrophobicContact CG2-CG2 4.28Å; I554-V627 HydrophobicContact CD1-CG2 3.88Å; I554-V627 HydrophobicContact CG2-CG2 4.47Å
555	N	94.5	Very high	89.7	Confident	60 Å²	60	54.3 Å²	54.3	32%	0.321	31%	0.31	S	S	.	.	H	α-helix	trans	-61.8	-44	176.4	-74.9	-24.2	0	0	0	111.6	I551 H552 M558 E559 L571	I551-N555 WeakPolarHBondContact O-CB 3.38Å; I551-N555 PolarHBondContact O-N 3.5Å; I551-N555 PolarHBondContact O-ND2 3.42Å; H552-N555 PolarHBondContact O-N 3.46Å; N555-M558 PolarHBondContact O-N 3.38Å; N555-E559 PolarHBondContact O-N 3.35Å; N555-L571 VanDerWaalsContact OD1-CD2 3.26Å; N555-L571 WeakPolarHBondContact OD1-CD2 3.43Å
556	A	92.6	Very high	88.9	Confident	44 Å²	44	56.8 Å²	56.8	36%	0.364	31%	0.314	S	S	.	.	H	α-helix	trans	-63.3	-43.9	176.3	0	0	0	0	0	111.8	H552 I553 I554 M558 E559	H552-A556 PolarHBondContact O-N 3.05Å; I553-A556 PolarHBondContact O-N 3.13Å; I554-A556 VanDerWaalsContact C-N 3.34Å; I554-A556 PolarHBondContact O-N 3.08Å; A556-M558 VanDerWaalsContact C-N 3.32Å; A556-M558 PolarHBondContact O-N 3.29Å; A556-E559 WeakPolarHBondContact O-CB 3.44Å; A556-E559 PolarHBondContact O-N 3.17Å; A556-E559 VanDerWaalsContact O-N 3.13Å
557	E	89.9	Confident	88.2	Confident	33 Å²	33	56.9 Å²	56.9	15%	0.154	32%	0.315	C	S	.	.	H	α-helix	trans	-62.2	-39.1	176.5	175.1	64.1	178.3	0	0	111.7	V506 I553 I554 E559 N560 Y561 R631	V506-E557 HydrophobicContact CG1-CG 4.49Å; V506-E557 HydrophobicContact CG2-CB 4.1Å; V506-E557 HydrophobicContact CG2-CG 3.88Å; I553-E557 VanDerWaalsContact O-CB 3.28Å; I553-E557 WeakPolarHBondContact O-CB 3.39Å; I553-E557 PolarHBondContact O-N 2.88Å; I554-E557 PolarHBondContact O-N 3.03Å; E557-E559 PolarHBondContact O-N 3.46Å; E557-N560 VanDerWaalsContact O-CB 3.31Å; E557-N560 WeakPolarHBondContact O-CB 3.49Å; E557-N560 PolarHBondContact O-N 3.37Å; E557-N560 PolarHBondContact OE2-ND2 2.87Å; E557-Y561 HydrophobicContact CG-CE2 3.83Å; E557-Y561 WeakPolarHBondContact O-CD2 3.41Å; E557-Y561 VanDerWaalsContact O-CE2 3.25Å; E557-Y561 WeakPolarHBondContact O-CE2 3.5Å; E557-Y561 WeakPolarHBondContact OE1-CE2 3.13Å; E557-Y561 PolarHBondContact OE1-OH 2.93Å; E557-R631 IonicContact OE1-NH1 2.81Å; E557-R631 IonicContact OE1-NH2 3.58Å; E557-R631 PolarHBondContact OE1-NH2 3.31Å
558	M	90.2	Very high	87.7	Confident	12 Å²	12	61.6 Å²	61.6	6%	0.059	34%	0.338	C	S	.	.	H	α-helix	trans	-65.8	-19.4	177.3	-69	-56.9	93.4	0	0	113.4	I554 N555 A556 N560 Y561 T567 V570 L571 I630	I554-M558 HydrophobicContact CG2-CG 4.23Å; I554-M558 WeakPolarHBondContact O-CB 3.49Å; I554-M558 WeakPolarHBondContact O-CG 3.32Å; I554-M558 PolarHBondContact O-N 2.97Å; N555-M558 PolarHBondContact O-N 3.38Å; A556-M558 VanDerWaalsContact C-N 3.32Å; A556-M558 PolarHBondContact O-N 3.29Å; M558-N560 PolarHBondContact O-N 3Å; M558-Y561 HydrophobicContact CE-CD2 3.78Å; M558-Y561 HydrophobicContact CE-CE2 3.76Å; M558-Y561 PolarHBondContact O-N 2.91Å; M558-Y561 HydrophobicContact SD-CD2 4.5Å; M558-T567 HydrophobicContact SD-CG2 3.89Å; M558-V570 HydrophobicContact CE-CG1 4.42Å; M558-V570 HydrophobicContact CG-CB 4.37Å; M558-V570 HydrophobicContact CG-CG1 3.91Å; M558-V570 HydrophobicContact SD-CB 3.83Å; M558-V570 HydrophobicContact SD-CG1 3.75Å; M558-V570 HydrophobicContact SD-CG2 4.14Å; M558-L571 HydrophobicContact CB-CD2 4.14Å; M558-L571 HydrophobicContact CG-CD2 4.1Å; M558-L571 HydrophobicContact CG-CG 4.37Å; M558-I630 HydrophobicContact CE-CD1 3.9Å; M558-I630 HydrophobicContact SD-CD1 3.82Å
559	E	88.7	Confident	87.2	Confident	166 Å²	166	62.7 Å²	62.7	78%	0.776	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-19.7	172.1	-63.8	179	-179.3	0	0	112.6	N555 A556 E557 Y561	N555-E559 PolarHBondContact O-N 3.35Å; A556-E559 WeakPolarHBondContact O-CB 3.44Å; A556-E559 PolarHBondContact O-N 3.17Å; A556-E559 VanDerWaalsContact O-N 3.13Å; E557-E559 PolarHBondContact O-N 3.46Å; E559-Y561 VanDerWaalsContact C-N 3.31Å
560	N	84.7	Confident	87	Confident	125 Å²	125	61.4 Å²	61.4	67%	0.668	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-10.7	176.1	-63	-40.3	0	0	0	113.3	E557 M558	E557-N560 VanDerWaalsContact O-CB 3.31Å; E557-N560 WeakPolarHBondContact O-CB 3.49Å; E557-N560 PolarHBondContact O-N 3.37Å; E557-N560 PolarHBondContact OE2-ND2 2.87Å; M558-N560 PolarHBondContact O-N 3Å
561	Y	80.4	Confident	86.8	Confident	71 Å²	71	64.9 Å²	64.9	28%	0.278	35%	0.345	S	S	.	.	S	Bend	trans	-107.6	152	179.9	-60.5	-94.7	0	0	0	110.9	E557 M558 E559 T567 I630 R631	E557-Y561 HydrophobicContact CG-CE2 3.83Å; E557-Y561 WeakPolarHBondContact O-CD2 3.41Å; E557-Y561 VanDerWaalsContact O-CE2 3.25Å; E557-Y561 WeakPolarHBondContact O-CE2 3.5Å; E557-Y561 WeakPolarHBondContact OE1-CE2 3.13Å; E557-Y561 PolarHBondContact OE1-OH 2.93Å; M558-Y561 HydrophobicContact CE-CD2 3.78Å; M558-Y561 HydrophobicContact CE-CE2 3.76Å; M558-Y561 PolarHBondContact O-N 2.91Å; M558-Y561 HydrophobicContact SD-CD2 4.5Å; E559-Y561 VanDerWaalsContact C-N 3.31Å; Y561-T567 HydrophobicContact CG-CG2 4.27Å; Y561-I630 HydrophobicContact CD1-CG2 3.96Å; Y561-I630 HydrophobicContact CE1-CG2 3.64Å; Y561-R631 PolarHBondContact OH-NH1 3.06Å
562	E	72.1	Confident	86.6	Confident	155 Å²	155	68.8 Å²	68.8	72%	0.724	36%	0.363	S	S	*	.			trans	-67.1	142.2	168.8	-63.6	-167.2	171.2	0	0	110.9	G564 T567	E562-G564 PolarHBondContact O-N 2.9Å; E562-T567 PolarHBondContact O-OG1 2.92Å
563	A	80.4	Confident	86.6	Confident	103 Å²	103	65 Å²	65	85%	0.851	35%	0.348	S	S	*	.	S	Bend	trans	-64.3	127.3	179.1	0	0	0	0	0	110.9
564	G	75.8	Confident	86.7	Confident	29 Å²	29	64.4 Å²	64.4	30%	0.299	35%	0.346	S	S	.	.	S	Bend	trans	-170.8	-177.8	-176.7	0	0	0	0	0	112.6	E562 Y566 T567 E568	E562-G564 PolarHBondContact O-N 2.9Å; G564-Y566 PolarHBondContact O-N 3.17Å; G564-Y566 VanDerWaalsContact O-N 3.1Å; G564-T567 PolarHBondContact N-OG1 3.41Å; G564-T567 PolarHBondContact O-N 2.74Å; G564-T567 PolarHBondContact O-OG1 3.2Å; G564-E568 WeakPolarHBondContact O-CB 3.42Å; G564-E568 WeakPolarHBondContact O-CG 3.24Å; G564-E568 PolarHBondContact O-N 3.33Å
565	V	76.7	Confident	86.8	Confident	90 Å²	90	69.9 Å²	69.9	55%	0.545	37%	0.369	S	S	.	.	H	α-helix	trans	-58.1	-31.7	-172.3	-179.2	0	0	0	0	113	K569	V565-K569 VanDerWaalsContact O-CG 3.28Å; V565-K569 WeakPolarHBondContact O-CG 3.31Å; V565-K569 PolarHBondContact O-N 3.21Å
566	Y	77.4	Confident	86.8	Confident	72 Å²	72	70.7 Å²	70.7	28%	0.282	37%	0.373	S	S	.	.	H	α-helix	trans	-77.7	-46.4	179.3	-67.1	-82.4	0	0	0	112.5	G564 E568 K569 V570 M629 K716	G564-Y566 PolarHBondContact O-N 3.17Å; G564-Y566 VanDerWaalsContact O-N 3.1Å; Y566-E568 VanDerWaalsContact C-N 3.33Å; Y566-E568 PolarHBondContact O-N 3.34Å; Y566-K569 PolarHBondContact O-N 3.17Å; Y566-V570 PolarHBondContact O-N 3Å; Y566-V570 VanDerWaalsContact O-N 3.13Å; Y566-M629 HydrophobicContact CD1-CB 4.49Å; Y566-K716 HydrophobicContact CE2-CD 4.14Å; Y566-K716 WeakPolarHBondContact OH-CB 3.45Å
567	T	83.1	Confident	87.1	Confident	11 Å²	11	68.7 Å²	68.7	7%	0.067	36%	0.356	C	S	.	.	H	α-helix	trans	-64.5	-39.3	176.3	50	0	0	0	0	110.9	M558 Y561 E562 G564 K569 V570 L571	M558-T567 HydrophobicContact SD-CG2 3.89Å; Y561-T567 HydrophobicContact CG-CG2 4.27Å; E562-T567 PolarHBondContact O-OG1 2.92Å; G564-T567 PolarHBondContact N-OG1 3.41Å; G564-T567 PolarHBondContact O-N 2.74Å; G564-T567 PolarHBondContact O-OG1 3.2Å; T567-K569 VanDerWaalsContact C-N 3.34Å; T567-K569 PolarHBondContact O-N 3.33Å; T567-V570 PolarHBondContact O-N 3.17Å; T567-L571 WeakPolarHBondContact O-CB 3.44Å; T567-L571 VanDerWaalsContact O-CG 3.26Å; T567-L571 WeakPolarHBondContact O-CG 3.48Å; T567-L571 PolarHBondContact O-N 3.06Å
568	E	86.9	Confident	87.5	Confident	100 Å²	100	69.2 Å²	69.2	47%	0.467	36%	0.364	S	S	.	.	H	α-helix	trans	-56.8	-44.2	172.1	-76.2	-179.9	177.6	0	0	112.5	G564 Y566 L571 E572	G564-E568 WeakPolarHBondContact O-CB 3.42Å; G564-E568 WeakPolarHBondContact O-CG 3.24Å; G564-E568 PolarHBondContact O-N 3.33Å; Y566-E568 VanDerWaalsContact C-N 3.33Å; Y566-E568 PolarHBondContact O-N 3.34Å; E568-L571 PolarHBondContact O-N 3.1Å; E568-E572 WeakPolarHBondContact O-CB 3.45Å; E568-E572 WeakPolarHBondContact O-CG 3.46Å; E568-E572 PolarHBondContact O-N 3.22Å
569	K	84.6	Confident	87.8	Confident	79 Å²	79	74.5 Å²	74.5	34%	0.343	39%	0.388	S	S	.	.	H	α-helix	trans	-64.8	-40.6	178.5	-80.3	177.3	172.5	-160	0	113.2	V565 Y566 T567 L571 E572 A573 M720	V565-K569 VanDerWaalsContact O-CG 3.28Å; V565-K569 WeakPolarHBondContact O-CG 3.31Å; V565-K569 PolarHBondContact O-N 3.21Å; Y566-K569 PolarHBondContact O-N 3.17Å; T567-K569 VanDerWaalsContact C-N 3.34Å; T567-K569 PolarHBondContact O-N 3.33Å; K569-L571 VanDerWaalsContact C-N 3.35Å; K569-E572 PolarHBondContact O-N 3.23Å; K569-A573 PolarHBondContact O-N 3.19Å; K569-M720 PolarHBondContact NZ-SD 3.31Å
570	V	89.9	Confident	88.2	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-62.2	-47.4	175.3	174.8	0	0	0	0	109.6	I554 M558 Y566 T567 E572 A573 T574 A626 V627 I630	I554-V570 HydrophobicContact CG2-CG1 3.27Å; M558-V570 HydrophobicContact CE-CG1 4.42Å; M558-V570 HydrophobicContact CG-CB 4.37Å; M558-V570 HydrophobicContact CG-CG1 3.91Å; M558-V570 HydrophobicContact SD-CB 3.83Å; M558-V570 HydrophobicContact SD-CG1 3.75Å; M558-V570 HydrophobicContact SD-CG2 4.14Å; Y566-V570 PolarHBondContact O-N 3Å; Y566-V570 VanDerWaalsContact O-N 3.13Å; T567-V570 PolarHBondContact O-N 3.17Å; V570-E572 VanDerWaalsContact C-N 3.35Å; V570-E572 PolarHBondContact O-N 2.65Å; V570-A573 PolarHBondContact O-N 3.43Å; V570-T574 PolarHBondContact O-N 2.81Å; V570-T574 PolarHBondContact O-OG1 2.91Å; V570-T574 VanDerWaalsContact O-OG1 3.05Å; V570-A626 HydrophobicContact CB-CB 4.47Å; V570-A626 HydrophobicContact CG2-CB 3.76Å; V570-V627 HydrophobicContact CG1-CG2 3.85Å; V570-V627 HydrophobicContact CG2-CG2 4.12Å; V570-I630 HydrophobicContact CG2-CD1 3.68Å
571	L	93.4	Very high	88.8	Confident	73 Å²	73	65.3 Å²	65.3	38%	0.382	35%	0.348	S	S	.	.	H	α-helix	trans	-64.9	-35.5	178.5	-65.9	174.1	0	0	0	112.8	N555 M558 T567 E568 K569 T574 K575	N555-L571 VanDerWaalsContact OD1-CD2 3.26Å; N555-L571 WeakPolarHBondContact OD1-CD2 3.43Å; M558-L571 HydrophobicContact CB-CD2 4.14Å; M558-L571 HydrophobicContact CG-CD2 4.1Å; M558-L571 HydrophobicContact CG-CG 4.37Å; T567-L571 WeakPolarHBondContact O-CB 3.44Å; T567-L571 VanDerWaalsContact O-CG 3.26Å; T567-L571 WeakPolarHBondContact O-CG 3.48Å; T567-L571 PolarHBondContact O-N 3.06Å; E568-L571 PolarHBondContact O-N 3.1Å; K569-L571 VanDerWaalsContact C-N 3.35Å; L571-T574 PolarHBondContact O-N 3.44Å; L571-K575 VanDerWaalsContact O-CB 3.27Å; L571-K575 WeakPolarHBondContact O-CB 3.35Å; L571-K575 PolarHBondContact O-N 2.74Å
572	E	93.3	Very high	89.6	Confident	109 Å²	109	63 Å²	63	51%	0.509	34%	0.34	S	S	.	.	H	α-helix	trans	-62.4	-43.2	172.2	-79.2	180	177.5	0	0	111.7	E568 K569 V570 K575 L576	E568-E572 WeakPolarHBondContact O-CB 3.45Å; E568-E572 WeakPolarHBondContact O-CG 3.46Å; E568-E572 PolarHBondContact O-N 3.22Å; K569-E572 PolarHBondContact O-N 3.23Å; V570-E572 VanDerWaalsContact C-N 3.35Å; V570-E572 PolarHBondContact O-N 2.65Å; E572-K575 PolarHBondContact O-N 2.67Å; E572-L576 PolarHBondContact O-N 3.26Å
573	A	93.7	Very high	90.8	Very high	18 Å²	18	58.7 Å²	58.7	15%	0.149	33%	0.326	C	S	.	.	H	α-helix	trans	-65.1	-44	176.2	0	0	0	0	0	111.7	K569 V570 K575 L576 L577 I623	K569-A573 PolarHBondContact O-N 3.19Å; V570-A573 PolarHBondContact O-N 3.43Å; A573-K575 VanDerWaalsContact C-N 3.33Å; A573-K575 PolarHBondContact O-N 2.93Å; A573-L576 PolarHBondContact O-N 3.38Å; A573-L577 PolarHBondContact O-N 3.21Å; A573-I623 HydrophobicContact CB-CG1 3.83Å
574	T	97	Very high	91.6	Very high	3 Å²	3	58.7 Å²	58.7	2%	0.018	30%	0.304	C	S	.	.	H	α-helix	trans	-58.2	-45.1	174.3	-59.8	0	0	0	0	111.6	I551 V570 L571 L577 S578	I551-T574 HydrophobicContact CB-CG2 3.91Å; I551-T574 HydrophobicContact CG1-CG2 3.78Å; I551-T574 HydrophobicContact CG2-CG2 3.56Å; V570-T574 PolarHBondContact O-N 2.81Å; V570-T574 PolarHBondContact O-OG1 2.91Å; V570-T574 VanDerWaalsContact O-OG1 3.05Å; L571-T574 PolarHBondContact O-N 3.44Å; T574-L577 PolarHBondContact O-N 3.45Å; T574-S578 WeakPolarHBondContact O-CB 3.38Å; T574-S578 PolarHBondContact O-N 3Å; T574-S578 PolarHBondContact O-OG 3.25Å
575	K	96.7	Very high	92.6	Very high	114 Å²	114	57.3 Å²	57.3	50%	0.496	29%	0.29	S	S	.	.	H	α-helix	trans	-63.7	-41.2	177.8	-173.5	178.9	-179.9	178.8	0	112.3	L571 E572 A573 S578 E579	L571-K575 VanDerWaalsContact O-CB 3.27Å; L571-K575 WeakPolarHBondContact O-CB 3.35Å; L571-K575 PolarHBondContact O-N 2.74Å; E572-K575 PolarHBondContact O-N 2.67Å; A573-K575 VanDerWaalsContact C-N 3.33Å; A573-K575 PolarHBondContact O-N 2.93Å; K575-S578 WeakPolarHBondContact CA-OG 3.44Å; K575-S578 PolarHBondContact O-N 3.11Å; K575-S578 PolarHBondContact O-OG 3.15Å; K575-S578 VanDerWaalsContact O-OG 3.13Å; K575-E579 WeakPolarHBondContact CE-OE1 3.41Å; K575-E579 WeakPolarHBondContact CE-OE2 3.09Å; K575-E579 HydrophobicContact CG-CG 4.1Å; K575-E579 IonicContact NZ-OE2 3.84Å; K575-E579 WeakPolarHBondContact O-CB 3.45Å; K575-E579 PolarHBondContact O-N 2.99Å
576	L	96.3	Very high	93.6	Very high	78 Å²	78	54 Å²	54	41%	0.408	27%	0.272	S	S	.	.	H	α-helix	trans	-60.8	-45.7	176.1	179.3	66.6	0	0	0	111.1	E572 A573 T580 V581	E572-L576 PolarHBondContact O-N 3.26Å; A573-L576 PolarHBondContact O-N 3.38Å; L576-T580 HydrophobicContact CD1-CG2 4.29Å; L576-T580 WeakPolarHBondContact O-CB 3.45Å; L576-T580 PolarHBondContact O-N 3.3Å; L576-T580 VanDerWaalsContact O-N 3.12Å; L576-V581 HydrophobicContact CG-CG2 4.46Å; L576-V581 PolarHBondContact O-N 2.92Å; L576-V581 VanDerWaalsContact O-N 3.11Å
577	L	97.7	Very high	94.5	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	29%	0.285	C	S	.	.	I	π-helix	trans	-60	-49.9	176.2	-179.9	60.8	0	0	0	110.7	A547 I551 A573 T574 V581 M582 V616 V620 I623	A547-L577 HydrophobicContact CB-CD2 4.43Å; I551-L577 HydrophobicContact CD1-CD2 4.27Å; I551-L577 HydrophobicContact CD1-CG 4.26Å; I551-L577 HydrophobicContact CG1-CD2 4.2Å; A573-L577 PolarHBondContact O-N 3.21Å; T574-L577 PolarHBondContact O-N 3.45Å; L577-V581 HydrophobicContact CD1-CB 4.07Å; L577-V581 HydrophobicContact CD1-CG1 3.93Å; L577-V581 PolarHBondContact O-N 3.1Å; L577-M582 HydrophobicContact CD1-CG 4.09Å; L577-M582 HydrophobicContact CD1-SD 4.19Å; L577-M582 HydrophobicContact CG-CG 4.28Å; L577-M582 WeakPolarHBondContact O-CB 3.35Å; L577-M582 VanDerWaalsContact O-CG 3.3Å; L577-M582 WeakPolarHBondContact O-CG 3.33Å; L577-M582 PolarHBondContact O-N 2.91Å; L577-V616 HydrophobicContact CD1-CG1 4.48Å; L577-V620 HydrophobicContact CD2-CG2 3.8Å; L577-I623 HydrophobicContact CB-CD1 4.05Å; L577-I623 HydrophobicContact CD2-CD1 3.48Å; L577-I623 VanDerWaalsContact CD2-CD1 3.48Å; L577-I623 HydrophobicContact CG-CD1 4.42Å
578	S	97.5	Very high	95.1	Very high	44 Å²	44	57 Å²	57	31%	0.308	29%	0.287	S	S	.	.	I	π-helix	trans	-71.6	-42.5	-173.9	66.1	0	0	0	0	114.4	T574 K575 P583	T574-S578 WeakPolarHBondContact O-CB 3.38Å; T574-S578 PolarHBondContact O-N 3Å; T574-S578 PolarHBondContact O-OG 3.25Å; K575-S578 WeakPolarHBondContact CA-OG 3.44Å; K575-S578 PolarHBondContact O-N 3.11Å; K575-S578 PolarHBondContact O-OG 3.15Å; K575-S578 VanDerWaalsContact O-OG 3.13Å; S578-P583 WeakPolarHBondContact O-CD 3.45Å
579	E	97.3	Very high	95.5	Very high	123 Å²	123	52.4 Å²	52.4	58%	0.575	27%	0.266	S	S	*	.	I	π-helix	trans	-97.9	-18.7	-169.6	-64.7	-177.1	-176	0	0	113.6	K575	K575-E579 WeakPolarHBondContact CE-OE1 3.41Å; K575-E579 WeakPolarHBondContact CE-OE2 3.09Å; K575-E579 HydrophobicContact CG-CG 4.1Å; K575-E579 IonicContact NZ-OE2 3.84Å; K575-E579 WeakPolarHBondContact O-CB 3.45Å; K575-E579 PolarHBondContact O-N 2.99Å
580	T	96.6	Very high	96	Very high	85 Å²	85	54.1 Å²	54.1	52%	0.521	28%	0.275	S	S	.	.	I	π-helix	trans	-120.1	-53.1	-176.2	-53.8	0	0	0	0	112.3	L576 R584	L576-T580 HydrophobicContact CD1-CG2 4.29Å; L576-T580 WeakPolarHBondContact O-CB 3.45Å; L576-T580 PolarHBondContact O-N 3.3Å; L576-T580 VanDerWaalsContact O-N 3.12Å; T580-R584 PolarHBondContact O-N 2.95Å
581	V	96.9	Very high	96.2	Very high	13 Å²	13	57.3 Å²	57.3	8%	0.079	30%	0.295	C	S	.	.	I	π-helix	trans	-73.1	-52	-172.7	174.6	0	0	0	0	111.5	L576 L577 R584 F585 L615 V616	L576-V581 HydrophobicContact CG-CG2 4.46Å; L576-V581 PolarHBondContact O-N 2.92Å; L576-V581 VanDerWaalsContact O-N 3.11Å; L577-V581 HydrophobicContact CD1-CB 4.07Å; L577-V581 HydrophobicContact CD1-CG1 3.93Å; L577-V581 PolarHBondContact O-N 3.1Å; V581-R584 PolarHBondContact O-N 2.73Å; V581-F585 PolarHBondContact O-N 2.92Å; V581-L615 VanDerWaalsContact CG1-C 3.44Å; V581-L615 HydrophobicContact CG1-CB 3.91Å; V581-L615 WeakPolarHBondContact CG1-O 3.41Å; V581-V616 HydrophobicContact CG1-CB 4.31Å; V581-V616 HydrophobicContact CG1-CG2 3.89Å
582	M	97.8	Very high	96.2	Very high	23 Å²	23	53.9 Å²	53.9	11%	0.113	28%	0.277	C	S	.	.	H	α-helix	trans	-64.4	-40.8	-176.9	-70.9	-52.2	-52.5	0	0	114.1	I543 R544 A547 L577 R584 F585 A586 V616	I543-M582 HydrophobicContact CG2-CE 4.49Å; R544-M582 HydrophobicContact CB-CE 4.15Å; R544-M582 HydrophobicContact CG-CE 3.61Å; A547-M582 HydrophobicContact CB-CE 4.11Å; A547-M582 HydrophobicContact CB-CG 4.07Å; A547-M582 HydrophobicContact CB-SD 3.52Å; A547-M582 VanDerWaalsContact CB-SD 3.52Å; L577-M582 HydrophobicContact CD1-CG 4.09Å; L577-M582 HydrophobicContact CD1-SD 4.19Å; L577-M582 HydrophobicContact CG-CG 4.28Å; L577-M582 WeakPolarHBondContact O-CB 3.35Å; L577-M582 VanDerWaalsContact O-CG 3.3Å; L577-M582 WeakPolarHBondContact O-CG 3.33Å; L577-M582 PolarHBondContact O-N 2.91Å; M582-R584 PolarHBondContact O-N 3.16Å; M582-F585 HydrophobicContact CE-CD1 3.91Å; M582-F585 PolarHBondContact O-N 3.31Å; M582-A586 WeakPolarHBondContact O-CB 3.25Å; M582-A586 PolarHBondContact O-N 2.91Å; M582-V616 HydrophobicContact SD-CB 4.46Å; M582-V616 HydrophobicContact SD-CG1 3.71Å; M582-V616 HydrophobicContact SD-CG2 3.94Å
583	P	97.9	Very high	96.2	Very high	65 Å²	65	50.3 Å²	50.3	42%	0.422	26%	0.261	S	S	.	.	H	α-helix	trans	-61.3	-41.7	173.9	-27.6	37.9	0	0	0	113	S578 A586 E587	S578-P583 WeakPolarHBondContact O-CD 3.45Å; P583-A586 PolarHBondContact O-N 2.86Å; P583-E587 PolarHBondContact O-N 2.9Å
584	R	96.6	Very high	96.2	Very high	103 Å²	103	56 Å²	56	39%	0.389	29%	0.285	S	S	.	.	H	α-helix	trans	-63.5	-42.5	176.2	-177.9	179.6	175.3	-169.3	-3.3	111.8	T580 V581 M582 Q588 A612	T580-R584 PolarHBondContact O-N 2.95Å; V581-R584 PolarHBondContact O-N 2.73Å; M582-R584 PolarHBondContact O-N 3.16Å; R584-Q588 VanDerWaalsContact O-CG 3.3Å; R584-Q588 WeakPolarHBondContact O-CG 3.29Å; R584-Q588 PolarHBondContact O-N 3.37Å; R584-Q588 VanDerWaalsContact O-N 3.11Å; R584-A612 HydrophobicContact CG-CB 4.28Å
585	F	97.7	Very high	95.9	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.8	-45.6	175	173.8	-106.2	0	0	0	111.5	A540 I543 R544 V581 M582 E587 Q588 V589 F609 S613 V616	A540-F585 HydrophobicContact CB-CE1 4.13Å; A540-F585 HydrophobicContact CB-CZ 4.03Å; I543-F585 HydrophobicContact CB-CE1 4.03Å; I543-F585 HydrophobicContact CB-CZ 4.25Å; I543-F585 HydrophobicContact CD1-CE1 4.34Å; I543-F585 HydrophobicContact CD1-CE2 4.35Å; I543-F585 HydrophobicContact CD1-CZ 3.68Å; I543-F585 HydrophobicContact CG2-CD1 4.28Å; I543-F585 HydrophobicContact CG2-CE1 3.75Å; I543-F585 HydrophobicContact CG2-CZ 4.08Å; R544-F585 HydrophobicContact CG-CE1 4.46Å; V581-F585 PolarHBondContact O-N 2.92Å; M582-F585 HydrophobicContact CE-CD1 3.91Å; M582-F585 PolarHBondContact O-N 3.31Å; F585-E587 PolarHBondContact O-N 3.46Å; F585-Q588 PolarHBondContact O-N 3.46Å; F585-V589 HydrophobicContact CD1-CG2 4.27Å; F585-V589 HydrophobicContact CD2-CG2 4.22Å; F585-V589 HydrophobicContact CE1-CG2 3.82Å; F585-V589 HydrophobicContact CE2-CG2 3.76Å; F585-V589 HydrophobicContact CG-CG2 4.46Å; F585-V589 HydrophobicContact CZ-CG2 3.53Å; F585-V589 VanDerWaalsContact O-CG2 3.29Å; F585-V589 WeakPolarHBondContact O-CG2 3.41Å; F585-V589 PolarHBondContact O-N 2.82Å; F585-F609 HydrophobicContact CE2-CZ 4.39Å; F585-S613 WeakPolarHBondContact CE2-OG 3.33Å; F585-V616 HydrophobicContact CB-CG2 3.7Å; F585-V616 HydrophobicContact CD1-CG2 4.26Å; F585-V616 HydrophobicContact CD2-CG2 4Å; F585-V616 HydrophobicContact CG-CG2 3.71Å
586	A	96.6	Very high	95.6	Very high	21 Å²	21	52.6 Å²	52.6	17%	0.174	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-44.9	178.3	0	0	0	0	0	112.4	M582 P583 Q588 V589 E590	M582-A586 WeakPolarHBondContact O-CB 3.25Å; M582-A586 PolarHBondContact O-N 2.91Å; P583-A586 PolarHBondContact O-N 2.86Å; A586-Q588 VanDerWaalsContact C-N 3.35Å; A586-Q588 PolarHBondContact O-N 3Å; A586-V589 PolarHBondContact O-N 3.28Å; A586-E590 WeakPolarHBondContact O-CG 3.33Å; A586-E590 PolarHBondContact O-N 3.14Å
587	E	96.6	Very high	95.3	Very high	118 Å²	118	52.3 Å²	52.3	55%	0.551	28%	0.277	S	S	*	.	H	α-helix	trans	-58.4	-45.5	175.5	-178.8	179.3	-162.7	0	0	111.7	P583 F585 V589 E590 V591	P583-E587 PolarHBondContact O-N 2.9Å; F585-E587 PolarHBondContact O-N 3.46Å; E587-V589 VanDerWaalsContact C-N 3.35Å; E587-V589 PolarHBondContact O-N 3.2Å; E587-E590 PolarHBondContact O-N 3.45Å; E587-V591 WeakPolarHBondContact O-CG2 3.35Å; E587-V591 PolarHBondContact O-N 2.81Å
588	Q	95.3	Very high	94.8	Very high	26 Å²	26	53.6 Å²	53.6	12%	0.121	29%	0.288	C	S	.	.	H	α-helix	trans	-67.2	-34.8	179.4	-70.2	-69	-36.2	0	0	112.7	R584 F585 A586 A592 F609 A612	R584-Q588 VanDerWaalsContact O-CG 3.3Å; R584-Q588 WeakPolarHBondContact O-CG 3.29Å; R584-Q588 PolarHBondContact O-N 3.37Å; R584-Q588 VanDerWaalsContact O-N 3.11Å; F585-Q588 PolarHBondContact O-N 3.46Å; A586-Q588 VanDerWaalsContact C-N 3.35Å; A586-Q588 PolarHBondContact O-N 3Å; Q588-A592 VanDerWaalsContact O-CB 3.29Å; Q588-A592 WeakPolarHBondContact O-CB 3.46Å; Q588-A592 PolarHBondContact O-N 2.89Å; Q588-F609 HydrophobicContact CB-CD2 4.11Å; Q588-A612 HydrophobicContact CB-CB 4.2Å; Q588-A612 HydrophobicContact CG-CB 3.86Å
589	V	95.8	Very high	94	Very high	4 Å²	4	60 Å²	60	2%	0.024	32%	0.318	C	S	.	.	H	α-helix	trans	-63.9	-46.2	172.3	170.1	0	0	0	0	110.9	A540 F585 A586 E587 A592 I593 F609	A540-V589 HydrophobicContact CB-CB 4.33Å; A540-V589 HydrophobicContact CB-CG1 3.64Å; A540-V589 HydrophobicContact CB-CG2 3.72Å; F585-V589 HydrophobicContact CD1-CG2 4.27Å; F585-V589 HydrophobicContact CD2-CG2 4.22Å; F585-V589 HydrophobicContact CE1-CG2 3.82Å; F585-V589 HydrophobicContact CE2-CG2 3.76Å; F585-V589 HydrophobicContact CG-CG2 4.46Å; F585-V589 HydrophobicContact CZ-CG2 3.53Å; F585-V589 VanDerWaalsContact O-CG2 3.29Å; F585-V589 WeakPolarHBondContact O-CG2 3.41Å; F585-V589 PolarHBondContact O-N 2.82Å; A586-V589 PolarHBondContact O-N 3.28Å; E587-V589 VanDerWaalsContact C-N 3.35Å; E587-V589 PolarHBondContact O-N 3.2Å; V589-A592 PolarHBondContact O-N 3.31Å; V589-I593 HydrophobicContact CG1-CD1 3.66Å; V589-I593 HydrophobicContact CG1-CG1 4.37Å; V589-I593 WeakPolarHBondContact O-CB 3.24Å; V589-I593 VanDerWaalsContact O-CG1 3.3Å; V589-I593 WeakPolarHBondContact O-CG1 3.42Å; V589-I593 PolarHBondContact O-N 3.42Å; V589-F609 HydrophobicContact CB-CE2 4.47Å; V589-F609 HydrophobicContact CG2-CE2 3.74Å; V589-F609 HydrophobicContact CG2-CZ 4.34Å
590	E	95	Very high	93.2	Very high	115 Å²	115	59.5 Å²	59.5	54%	0.537	32%	0.324	S	S	.	.	H	α-helix	trans	-60.5	-48	178	-73.1	174.4	-172.1	0	0	111.2	A586 E587 A592 I593 E594	A586-E590 WeakPolarHBondContact O-CG 3.33Å; A586-E590 PolarHBondContact O-N 3.14Å; E587-E590 PolarHBondContact O-N 3.45Å; E590-A592 VanDerWaalsContact C-N 3.34Å; E590-A592 PolarHBondContact O-N 3.47Å; E590-I593 PolarHBondContact O-N 3.48Å; E590-E594 WeakPolarHBondContact O-CB 3.49Å; E590-E594 WeakPolarHBondContact O-CG 3.3Å; E590-E594 PolarHBondContact O-N 2.99Å
591	V	94.1	Very high	92.2	Very high	67 Å²	67	60 Å²	60	41%	0.406	33%	0.329	S	S	.	.	H	α-helix	trans	-58.5	-44.3	176.4	170.7	0	0	0	0	111.7	E587 A595	E587-V591 WeakPolarHBondContact O-CG2 3.35Å; E587-V591 PolarHBondContact O-N 2.81Å; V591-A595 VanDerWaalsContact O-CB 3.31Å; V591-A595 WeakPolarHBondContact O-CB 3.5Å; V591-A595 PolarHBondContact O-N 3.36Å
592	A	93.5	Very high	91.6	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.008	35%	0.352	C	S	.	.	H	α-helix	trans	-64.8	-45.3	178.8	0	0	0	0	0	112.2	L528 L536 Q588 V589 E590 A595 L596 F609	L528-A592 HydrophobicContact CD1-CB 3.69Å; L536-A592 HydrophobicContact CD2-CB 4.17Å; Q588-A592 VanDerWaalsContact O-CB 3.29Å; Q588-A592 WeakPolarHBondContact O-CB 3.46Å; Q588-A592 PolarHBondContact O-N 2.89Å; V589-A592 PolarHBondContact O-N 3.31Å; E590-A592 VanDerWaalsContact C-N 3.34Å; E590-A592 PolarHBondContact O-N 3.47Å; A592-A595 PolarHBondContact O-N 3.11Å; A592-L596 WeakPolarHBondContact O-CB 3.36Å; A592-L596 WeakPolarHBondContact O-CG 3.42Å; A592-L596 PolarHBondContact O-N 3.17Å; A592-F609 HydrophobicContact CB-CD2 4.15Å; A592-F609 HydrophobicContact CB-CE2 4.4Å
593	I	93.7	Very high	90.8	Very high	34 Å²	34	70.3 Å²	70.3	17%	0.174	39%	0.387	C	S	.	.	H	α-helix	trans	-62.2	-44.6	177.7	-72.2	171.2	0	0	0	110.7	V533 L536 D537 V589 E590 L596 S597	V533-I593 HydrophobicContact CG1-CB 4.48Å; V533-I593 HydrophobicContact CG1-CG1 4.3Å; V533-I593 HydrophobicContact CG1-CG2 3.84Å; L536-I593 HydrophobicContact CD2-CG1 3.94Å; L536-I593 HydrophobicContact CG-CG1 4.32Å; D537-I593 HydrophobicContact CB-CD1 3.81Å; V589-I593 HydrophobicContact CG1-CD1 3.66Å; V589-I593 HydrophobicContact CG1-CG1 4.37Å; V589-I593 WeakPolarHBondContact O-CB 3.24Å; V589-I593 VanDerWaalsContact O-CG1 3.3Å; V589-I593 WeakPolarHBondContact O-CG1 3.42Å; V589-I593 PolarHBondContact O-N 3.42Å; E590-I593 PolarHBondContact O-N 3.48Å; I593-L596 PolarHBondContact O-N 3.44Å; I593-S597 WeakPolarHBondContact O-CB 3.38Å; I593-S597 PolarHBondContact O-N 2.85Å; I593-S597 PolarHBondContact O-OG 2.63Å
594	E	92.8	Very high	90.2	Very high	139 Å²	139	70 Å²	70	65%	0.65	38%	0.379	S	S	*	.	H	α-helix	trans	-63.4	-42.1	177.6	-74.2	-175.5	175.8	0	0	112.1	E590 S597 A598	E590-E594 WeakPolarHBondContact O-CB 3.49Å; E590-E594 WeakPolarHBondContact O-CG 3.3Å; E590-E594 PolarHBondContact O-N 2.99Å; E594-S597 PolarHBondContact O-N 2.9Å; E594-A598 PolarHBondContact O-N 3.09Å
595	A	91.7	Very high	89.8	Confident	8 Å²	8	71.1 Å²	71.1	7%	0.066	39%	0.389	C	S	.	.	H	α-helix	trans	-64.7	-40	179.1	0	0	0	0	0	112.5	V591 A592 P601 Q602 F604	V591-A595 VanDerWaalsContact O-CB 3.31Å; V591-A595 WeakPolarHBondContact O-CB 3.5Å; V591-A595 PolarHBondContact O-N 3.36Å; A592-A595 PolarHBondContact O-N 3.11Å; A595-P601 WeakPolarHBondContact O-CA 3.44Å; A595-Q602 HydrophobicContact CB-CB 4.22Å; A595-Q602 PolarHBondContact O-N 3.29Å; A595-F604 HydrophobicContact CB-CB 3.98Å; A595-F604 HydrophobicContact CB-CD1 3.94Å; A595-F604 HydrophobicContact CB-CG 4.26Å
596	L	91.1	Very high	89.3	Confident	36 Å²	36	74.3 Å²	74.3	19%	0.188	40%	0.404	C	S	.	.	H	α-helix	trans	-76.7	-34.1	177.8	-70.7	175.8	0	0	0	113.1	L528 V533 L536 A592 I593 A598 F604	L528-L596 HydrophobicContact CD1-CD1 4.11Å; V533-L596 HydrophobicContact CG2-CB 3.62Å; V533-L596 HydrophobicContact CG2-CD1 4.23Å; L536-L596 HydrophobicContact CD2-CD1 4.24Å; A592-L596 WeakPolarHBondContact O-CB 3.36Å; A592-L596 WeakPolarHBondContact O-CG 3.42Å; A592-L596 PolarHBondContact O-N 3.17Å; I593-L596 PolarHBondContact O-N 3.44Å; L596-A598 VanDerWaalsContact C-N 3.31Å; L596-A598 PolarHBondContact O-N 2.95Å; L596-F604 HydrophobicContact CD2-CE1 4.25Å; L596-F604 HydrophobicContact CG-CE1 4.49Å
597	S	90.1	Very high	89	Confident	73 Å²	73	79 Å²	79	51%	0.51	43%	0.426	S	S	.	.	H	α-helix	trans	-80.3	-11.1	-178.5	-56.5	0	0	0	0	113.6	I593 E594	I593-S597 WeakPolarHBondContact O-CB 3.38Å; I593-S597 PolarHBondContact O-N 2.85Å; I593-S597 PolarHBondContact O-OG 2.63Å; E594-S597 PolarHBondContact O-N 2.9Å
598	A	87.3	Confident	88.7	Confident	28 Å²	28	77.3 Å²	77.3	23%	0.231	42%	0.418	C	S	.	.	S	Bend	trans	-63.6	145.1	177.3	0	0	0	0	0	111.7	E594 L596 V600 Q602	E594-A598 PolarHBondContact O-N 3.09Å; L596-A598 VanDerWaalsContact C-N 3.31Å; L596-A598 PolarHBondContact O-N 2.95Å; A598-V600 WeakPolarHBondContact CB-O 3.27Å; A598-V600 CarbonylContact O-C 3.51Å; A598-V600 PolarHBondContact O-N 2.77Å; A598-Q602 HydrophobicContact CB-CG 4.19Å
599	N	79.3	Confident	88.6	Confident	177 Å²	177	76 Å²	76	95%	0.947	41%	0.412	S	S	*	.	S	Bend	trans	-52.4	-28.4	177.8	-82.2	-22.2	0	0	0	113.7
600	V	80.9	Confident	88.3	Confident	114 Å²	114	77 Å²	77	69%	0.691	42%	0.417	S	S	*	.	S	Bend	trans	-123.7	120.2	164.5	-180	0	0	0	0	105.8	A598 Q602	A598-V600 WeakPolarHBondContact CB-O 3.27Å; A598-V600 CarbonylContact O-C 3.51Å; A598-V600 PolarHBondContact O-N 2.77Å; V600-Q602 PolarHBondContact O-N 2.83Å
601	P	76.4	Confident	88.1	Confident	95 Å²	95	75.2 Å²	75.2	62%	0.617	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-51.3	123.9	177.5	-29.1	35.4	0	0	0	110.9	A595	A595-P601 WeakPolarHBondContact O-CA 3.44Å
602	Q	83.3	Confident	88	Confident	122 Å²	122	72.1 Å²	72.1	57%	0.57	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-86.2	147.7	179.8	-66.3	-172.7	56.6	0	0	110.1	A595 A598 V600 F604	A595-Q602 HydrophobicContact CB-CB 4.22Å; A595-Q602 PolarHBondContact O-N 3.29Å; A598-Q602 HydrophobicContact CB-CG 4.19Å; V600-Q602 PolarHBondContact O-N 2.83Å; Q602-F604 PolarHBondContact O-N 2.84Å
603	P	81.3	Confident	88	Confident	131 Å²	131	72 Å²	72	85%	0.851	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-64.9	131.9	171.7	28.5	-33	0	0	0	109.3
604	F	85.8	Confident	87.9	Confident	59 Å²	59	77.3 Å²	77.3	26%	0.259	41%	0.409	S	S	.	.			trans	-131.9	159.3	172	71.4	-87.4	0	0	0	109.3	L528 A595 L596 Q602 E606	L528-F604 HydrophobicContact CD1-CE1 4.33Å; L528-F604 HydrophobicContact CD1-CE2 3.62Å; L528-F604 HydrophobicContact CD1-CZ 3.43Å; L528-F604 VanDerWaalsContact CD1-CZ 3.43Å; L528-F604 HydrophobicContact CD2-CE2 3.86Å; L528-F604 HydrophobicContact CD2-CZ 4.16Å; L528-F604 HydrophobicContact CG-CE2 3.91Å; L528-F604 HydrophobicContact CG-CZ 3.71Å; A595-F604 HydrophobicContact CB-CB 3.98Å; A595-F604 HydrophobicContact CB-CD1 3.94Å; A595-F604 HydrophobicContact CB-CG 4.26Å; L596-F604 HydrophobicContact CD2-CE1 4.25Å; L596-F604 HydrophobicContact CG-CE1 4.49Å; Q602-F604 PolarHBondContact O-N 2.84Å; F604-E606 HydrophobicContact CE2-CB 4.01Å; F604-E606 HydrophobicContact CE2-CG 4.4Å; F604-E606 PolarHBondContact O-N 3.28Å
605	E	87.8	Confident	87.9	Confident	125 Å²	125	73.7 Å²	73.7	58%	0.584	39%	0.394	S	S	*	.			trans	-84.8	91	-178.4	-63.5	-161.6	-171.9	0	0	111.4	N607 E608 F609	E605-N607 PolarHBondContact O-N 2.92Å; E605-E608 HydrophobicContact CB-CB 4.1Å; E605-E608 HydrophobicContact CB-CG 3.83Å; E605-E608 PolarHBondContact O-N 2.99Å; E605-E608 WeakPolarHBondContact OE2-CG 3.41Å; E605-F609 PolarHBondContact O-N 3.4Å
606	E	87.8	Confident	88.1	Confident	68 Å²	68	73.3 Å²	73.3	32%	0.318	39%	0.391	S	S	.	.	H	α-helix	trans	-54.8	-35.8	178.4	-167.5	-173.4	161.9	0	0	112.9	L528 Q529 F604 E608 F609 I610	L528-E606 HydrophobicContact CD2-CG 3.98Å; Q529-E606 VanDerWaalsContact CG-OE1 3.23Å; Q529-E606 WeakPolarHBondContact CG-OE1 3.32Å; Q529-E606 PolarHBondContact NE2-OE1 3.19Å; F604-E606 HydrophobicContact CE2-CB 4.01Å; F604-E606 HydrophobicContact CE2-CG 4.4Å; F604-E606 PolarHBondContact O-N 3.28Å; E606-E608 PolarHBondContact O-N 3.5Å; E606-F609 PolarHBondContact O-N 3.32Å; E606-I610 HydrophobicContact CG-CD1 3.98Å; E606-I610 HydrophobicContact CG-CG1 4.5Å; E606-I610 VanDerWaalsContact O-CG1 3.29Å; E606-I610 WeakPolarHBondContact O-CG1 3.41Å; E606-I610 PolarHBondContact O-N 2.9Å
607	N	89.6	Confident	88.2	Confident	120 Å²	120	73.4 Å²	73.4	64%	0.642	39%	0.389	S	S	*	.	H	α-helix	trans	-64.4	-38.3	178	-68.5	-33.1	0	0	0	112.5	E605 F609 I610 D611	E605-N607 PolarHBondContact O-N 2.92Å; N607-F609 VanDerWaalsContact C-N 3.35Å; N607-I610 PolarHBondContact O-N 3.17Å; N607-D611 WeakPolarHBondContact O-CB 3.4Å; N607-D611 VanDerWaalsContact O-CG 3.27Å; N607-D611 PolarHBondContact O-N 2.93Å
608	E	90.9	Very high	88.2	Confident	81 Å²	81	73.2 Å²	73.2	38%	0.379	38%	0.382	S	S	.	.	H	α-helix	trans	-67.6	-38.2	177.9	-68.3	-164.6	150.4	0	0	111.5	E605 E606 D611 A612	E605-E608 HydrophobicContact CB-CB 4.1Å; E605-E608 HydrophobicContact CB-CG 3.83Å; E605-E608 PolarHBondContact O-N 2.99Å; E605-E608 WeakPolarHBondContact OE2-CG 3.41Å; E606-E608 PolarHBondContact O-N 3.5Å; E608-D611 PolarHBondContact O-N 3.45Å; E608-A612 WeakPolarHBondContact O-CB 3.24Å; E608-A612 PolarHBondContact O-N 3.48Å
609	F	92.1	Very high	88.5	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-63.4	-47.1	173.4	179.5	-83.9	0	0	0	111.6	C524 V525 L528 L536 F585 Q588 V589 A592 E605 E606 N607 D611 A612 S613	C524-F609 HydrophobicContact CB-CE1 4.22Å; C524-F609 HydrophobicContact CB-CZ 4.1Å; V525-F609 HydrophobicContact CG2-CE1 4.4Å; L528-F609 HydrophobicContact CD2-CB 4.12Å; L528-F609 HydrophobicContact CD2-CD1 3.34Å; L528-F609 HydrophobicContact CD2-CD2 4.39Å; L528-F609 HydrophobicContact CD2-CE1 3.8Å; L528-F609 HydrophobicContact CD2-CG 3.68Å; L528-F609 HydrophobicContact CD2-CZ 4.49Å; L536-F609 HydrophobicContact CD1-CE2 4.29Å; L536-F609 HydrophobicContact CD1-CZ 3.8Å; F585-F609 HydrophobicContact CE2-CZ 4.39Å; Q588-F609 HydrophobicContact CB-CD2 4.11Å; V589-F609 HydrophobicContact CB-CE2 4.47Å; V589-F609 HydrophobicContact CG2-CE2 3.74Å; V589-F609 HydrophobicContact CG2-CZ 4.34Å; A592-F609 HydrophobicContact CB-CD2 4.15Å; A592-F609 HydrophobicContact CB-CE2 4.4Å; E605-F609 PolarHBondContact O-N 3.4Å; E606-F609 PolarHBondContact O-N 3.32Å; N607-F609 VanDerWaalsContact C-N 3.35Å; F609-D611 VanDerWaalsContact C-N 3.31Å; F609-D611 PolarHBondContact O-N 3.21Å; F609-A612 PolarHBondContact O-N 3.41Å; F609-S613 VanDerWaalsContact CE1-OG 3.3Å; F609-S613 WeakPolarHBondContact CE1-OG 3.4Å; F609-S613 WeakPolarHBondContact O-CB 3.41Å; F609-S613 PolarHBondContact O-N 3.38Å; F609-S613 PolarHBondContact O-OG 2.97Å
610	I	90.2	Very high	89.2	Confident	24 Å²	24	63.7 Å²	63.7	12%	0.123	33%	0.329	C	S	.	.	H	α-helix	trans	-60.5	-44.4	177.8	-69.6	167.3	0	0	0	110	V525 E606 N607 S613 R614	V525-I610 HydrophobicContact CG1-CD1 4.33Å; V525-I610 HydrophobicContact CG1-CG1 4.22Å; V525-I610 HydrophobicContact CG2-CG1 4.04Å; E606-I610 HydrophobicContact CG-CD1 3.98Å; E606-I610 HydrophobicContact CG-CG1 4.5Å; E606-I610 VanDerWaalsContact O-CG1 3.29Å; E606-I610 WeakPolarHBondContact O-CG1 3.41Å; E606-I610 PolarHBondContact O-N 2.9Å; N607-I610 PolarHBondContact O-N 3.17Å; I610-S613 PolarHBondContact O-N 3.4Å; I610-R614 HydrophobicContact CG2-CG 4.46Å; I610-R614 WeakPolarHBondContact O-CB 3.4Å; I610-R614 VanDerWaalsContact O-CG 3.31Å; I610-R614 WeakPolarHBondContact O-CG 3.35Å; I610-R614 PolarHBondContact O-N 2.99Å
611	D	90.7	Very high	89.6	Confident	78 Å²	78	60.9 Å²	60.9	42%	0.417	31%	0.306	S	S	.	.	H	α-helix	trans	-64.9	-43	178.2	-75.3	-14.4	0	0	0	111.8	N607 E608 F609 S613 R614 L615	N607-D611 WeakPolarHBondContact O-CB 3.4Å; N607-D611 VanDerWaalsContact O-CG 3.27Å; N607-D611 PolarHBondContact O-N 2.93Å; E608-D611 PolarHBondContact O-N 3.45Å; F609-D611 VanDerWaalsContact C-N 3.31Å; F609-D611 PolarHBondContact O-N 3.21Å; D611-S613 VanDerWaalsContact C-N 3.32Å; D611-S613 PolarHBondContact O-N 2.98Å; D611-R614 PolarHBondContact O-N 3.47Å; D611-R614 IonicContact OD1-NH1 3.9Å; D611-L615 VanDerWaalsContact O-CG 3.31Å; D611-L615 WeakPolarHBondContact O-CG 3.05Å; D611-L615 PolarHBondContact O-N 3.26Å
612	A	92.6	Very high	90.3	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-62.7	-39.5	175.2	0	0	0	0	0	112	R584 Q588 E608 F609 L615 V616	R584-A612 HydrophobicContact CG-CB 4.28Å; Q588-A612 HydrophobicContact CB-CB 4.2Å; Q588-A612 HydrophobicContact CG-CB 3.86Å; E608-A612 WeakPolarHBondContact O-CB 3.24Å; E608-A612 PolarHBondContact O-N 3.48Å; F609-A612 PolarHBondContact O-N 3.41Å; A612-L615 PolarHBondContact O-N 3.18Å; A612-V616 PolarHBondContact O-N 3.44Å
613	S	93.1	Very high	90.8	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-67.3	-41.9	177.3	-55.5	0	0	0	0	112.1	F585 F609 I610 D611 L615 V616	F585-S613 WeakPolarHBondContact CE2-OG 3.33Å; F609-S613 VanDerWaalsContact CE1-OG 3.3Å; F609-S613 WeakPolarHBondContact CE1-OG 3.4Å; F609-S613 WeakPolarHBondContact O-CB 3.41Å; F609-S613 PolarHBondContact O-N 3.38Å; F609-S613 PolarHBondContact O-OG 2.97Å; I610-S613 PolarHBondContact O-N 3.4Å; D611-S613 VanDerWaalsContact C-N 3.32Å; D611-S613 PolarHBondContact O-N 2.98Å; S613-L615 VanDerWaalsContact C-N 3.31Å; S613-L615 PolarHBondContact O-N 2.59Å; S613-V616 WeakPolarHBondContact O-CB 3.4Å; S613-V616 PolarHBondContact O-N 3.21Å; S613-V616 VanDerWaalsContact O-N 3.16Å
614	R	90.4	Very high	91.2	Very high	145 Å²	145	47.9 Å²	47.9	55%	0.547	23%	0.226	S	C	.	.	H	α-helix	trans	-60.9	-39.6	174.7	-76.5	172.7	177.6	170.9	0.5	112.3	I610 D611 V616 Y617 D618	I610-R614 HydrophobicContact CG2-CG 4.46Å; I610-R614 WeakPolarHBondContact O-CB 3.4Å; I610-R614 VanDerWaalsContact O-CG 3.31Å; I610-R614 WeakPolarHBondContact O-CG 3.35Å; I610-R614 PolarHBondContact O-N 2.99Å; D611-R614 PolarHBondContact O-N 3.47Å; D611-R614 IonicContact OD1-NH1 3.9Å; R614-V616 PolarHBondContact O-N 2.93Å; R614-Y617 WeakPolarHBondContact O-CB 3.06Å; R614-Y617 PolarHBondContact O-N 2.79Å; R614-Y617 VanDerWaalsContact O-N 3.14Å; R614-D618 PolarHBondContact O-N 3.01Å
615	L	93.5	Very high	91.1	Very high	63 Å²	63	46.8 Å²	46.8	33%	0.33	22%	0.221	S	C	.	.	H	α-helix	trans	-60.7	-30.5	176.7	-71.9	172.7	0	0	0	112.8	V581 D611 A612 S613 G619	V581-L615 VanDerWaalsContact CG1-C 3.44Å; V581-L615 HydrophobicContact CG1-CB 3.91Å; V581-L615 WeakPolarHBondContact CG1-O 3.41Å; D611-L615 VanDerWaalsContact O-CG 3.31Å; D611-L615 WeakPolarHBondContact O-CG 3.05Å; D611-L615 PolarHBondContact O-N 3.26Å; A612-L615 PolarHBondContact O-N 3.18Å; S613-L615 VanDerWaalsContact C-N 3.31Å; S613-L615 PolarHBondContact O-N 2.59Å; L615-G619 PolarHBondContact O-N 3.26Å
616	V	96.2	Very high	91.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.6	-48.3	174.6	-176.8	0	0	0	0	110.7	I517 I543 L577 V581 M582 F585 A612 S613 R614 G619 V620	I517-V616 HydrophobicContact CG2-CG1 4.05Å; I543-V616 HydrophobicContact CG2-CB 4.46Å; I543-V616 HydrophobicContact CG2-CG1 3.68Å; L577-V616 HydrophobicContact CD1-CG1 4.48Å; V581-V616 HydrophobicContact CG1-CB 4.31Å; V581-V616 HydrophobicContact CG1-CG2 3.89Å; M582-V616 HydrophobicContact SD-CB 4.46Å; M582-V616 HydrophobicContact SD-CG1 3.71Å; M582-V616 HydrophobicContact SD-CG2 3.94Å; F585-V616 HydrophobicContact CB-CG2 3.7Å; F585-V616 HydrophobicContact CD1-CG2 4.26Å; F585-V616 HydrophobicContact CD2-CG2 4Å; F585-V616 HydrophobicContact CG-CG2 3.71Å; A612-V616 PolarHBondContact O-N 3.44Å; S613-V616 WeakPolarHBondContact O-CB 3.4Å; S613-V616 PolarHBondContact O-N 3.21Å; S613-V616 VanDerWaalsContact O-N 3.16Å; R614-V616 PolarHBondContact O-N 2.93Å; V616-G619 PolarHBondContact O-N 3.49Å; V616-V620 WeakPolarHBondContact O-CG2 3.49Å; V616-V620 PolarHBondContact O-N 3.07Å; V616-V620 VanDerWaalsContact O-N 3.14Å
617	Y	92.8	Very high	91	Very high	38 Å²	38	38.7 Å²	38.7	15%	0.149	19%	0.187	C	C	.	.	H	α-helix	trans	-59.3	-49.5	175.4	169.1	-99.2	0	0	0	111.4	E514 L518 R614 G619 V620 R621	E514-Y617 HydrophobicContact CG-CD2 4.23Å; E514-Y617 HydrophobicContact CG-CE2 3.51Å; E514-Y617 PolarHBondContact OE1-OH 3.27Å; L518-Y617 HydrophobicContact CB-CD2 3.71Å; L518-Y617 HydrophobicContact CB-CE2 3.85Å; L518-Y617 HydrophobicContact CD1-CD2 4.03Å; L518-Y617 HydrophobicContact CD1-CE2 4.27Å; L518-Y617 HydrophobicContact CD1-CG 4.21Å; L518-Y617 HydrophobicContact CD2-CE2 4.07Å; L518-Y617 HydrophobicContact CG-CD2 4.31Å; L518-Y617 HydrophobicContact CG-CE2 4.29Å; R614-Y617 WeakPolarHBondContact O-CB 3.06Å; R614-Y617 PolarHBondContact O-N 2.79Å; R614-Y617 VanDerWaalsContact O-N 3.14Å; Y617-G619 VanDerWaalsContact C-N 3.32Å; Y617-G619 PolarHBondContact O-N 3.33Å; Y617-V620 PolarHBondContact O-N 2.82Å; Y617-R621 WeakPolarHBondContact O-CB 3.46Å; Y617-R621 PolarHBondContact O-N 3Å
618	D	90.7	Very high	90.6	Very high	69 Å²	69	33.7 Å²	33.7	37%	0.369	16%	0.16	S	C	.	.	H	α-helix	trans	-60.9	-40.4	179.2	-70.8	-25.1	0	0	0	111.8	R614 V620 R621 D622	R614-D618 PolarHBondContact O-N 3.01Å; D618-V620 PolarHBondContact O-N 3.09Å; D618-R621 PolarHBondContact O-N 3.29Å; D618-D622 WeakPolarHBondContact O-CB 3.46Å; D618-D622 PolarHBondContact O-N 3.41Å
619	G	92.6	Very high	89.9	Confident	5 Å²	5	35.1 Å²	35.1	5%	0.052	17%	0.168	C	C	.	.	H	α-helix	trans	-62.9	-40.2	177.5	0	0	0	0	0	113.1	L615 V616 Y617 D622 I623	L615-G619 PolarHBondContact O-N 3.26Å; V616-G619 PolarHBondContact O-N 3.49Å; Y617-G619 VanDerWaalsContact C-N 3.32Å; Y617-G619 PolarHBondContact O-N 3.33Å; G619-D622 PolarHBondContact O-N 3.09Å; G619-I623 WeakPolarHBondContact O-CG1 3.29Å; G619-I623 PolarHBondContact O-N 3.48Å; G619-I623 VanDerWaalsContact O-N 3.11Å
620	V	95.3	Very high	88.9	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-69.1	-41.1	175.4	173.8	0	0	0	0	110.8	E514 I517 V550 L577 V616 Y617 D618 D622 I623 R624	E514-V620 HydrophobicContact CB-CG1 4.26Å; I517-V620 HydrophobicContact CD1-CB 4.34Å; I517-V620 HydrophobicContact CD1-CG1 4.23Å; I517-V620 HydrophobicContact CD1-CG2 3.5Å; V550-V620 HydrophobicContact CG2-CG1 4.43Å; L577-V620 HydrophobicContact CD2-CG2 3.8Å; V616-V620 WeakPolarHBondContact O-CG2 3.49Å; V616-V620 PolarHBondContact O-N 3.07Å; V616-V620 VanDerWaalsContact O-N 3.14Å; Y617-V620 PolarHBondContact O-N 2.82Å; D618-V620 PolarHBondContact O-N 3.09Å; V620-D622 VanDerWaalsContact C-N 3.31Å; V620-D622 PolarHBondContact O-N 2.65Å; V620-I623 PolarHBondContact O-N 3.42Å; V620-R624 PolarHBondContact O-N 2.9Å
621	R	89.6	Confident	87.9	Confident	55 Å²	55	37.5 Å²	37.5	21%	0.208	18%	0.178	C	C	.	.	H	α-helix	trans	-61.9	-39.1	175.2	-173.6	174.6	-175.5	-166.6	-0.1	111.8	E514 Y617 D618 R624 K625 E645	E514-R621 WeakPolarHBondContact OE1-CD 3.49Å; E514-R621 WeakPolarHBondContact OE1-CG 3.46Å; E514-R621 IonicContact OE1-NE 2.69Å; Y617-R621 WeakPolarHBondContact O-CB 3.46Å; Y617-R621 PolarHBondContact O-N 3Å; D618-R621 PolarHBondContact O-N 3.29Å; R621-R624 PolarHBondContact O-N 2.82Å; R621-K625 HydrophobicContact CG-CD 4.31Å; R621-K625 WeakPolarHBondContact O-CB 3.24Å; R621-K625 VanDerWaalsContact O-CG 3.28Å; R621-K625 WeakPolarHBondContact O-CG 3.46Å; R621-K625 PolarHBondContact O-N 2.7Å; R621-E645 PolarHBondContact NH2-O 3.47Å
622	D	89.6	Confident	86.4	Confident	50 Å²	50	35.8 Å²	35.8	27%	0.267	17%	0.17	S	C	.	.	H	α-helix	trans	-65.6	-40.3	176.2	-80.2	-12.5	0	0	0	112	D618 G619 V620 K625 A626	D618-D622 WeakPolarHBondContact O-CB 3.46Å; D618-D622 PolarHBondContact O-N 3.41Å; G619-D622 PolarHBondContact O-N 3.09Å; V620-D622 VanDerWaalsContact C-N 3.31Å; V620-D622 PolarHBondContact O-N 2.65Å; D622-K625 PolarHBondContact O-N 3.1Å; D622-A626 WeakPolarHBondContact O-CB 3.46Å; D622-A626 PolarHBondContact O-N 2.91Å
623	I	93.9	Very high	84.5	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.8	-50.2	172	-68.3	167.9	0	0	0	110.3	L510 V550 I554 A573 L577 G619 V620 K625 A626 V627	L510-I623 HydrophobicContact CD2-CG2 4.26Å; V550-I623 HydrophobicContact CG1-CD1 4.1Å; V550-I623 HydrophobicContact CG1-CG2 4.29Å; I554-I623 HydrophobicContact CG1-CG2 3.82Å; I554-I623 HydrophobicContact CG2-CG2 4.28Å; A573-I623 HydrophobicContact CB-CG1 3.83Å; L577-I623 HydrophobicContact CB-CD1 4.05Å; L577-I623 HydrophobicContact CD2-CD1 3.48Å; L577-I623 VanDerWaalsContact CD2-CD1 3.48Å; L577-I623 HydrophobicContact CG-CD1 4.42Å; G619-I623 WeakPolarHBondContact O-CG1 3.29Å; G619-I623 PolarHBondContact O-N 3.48Å; G619-I623 VanDerWaalsContact O-N 3.11Å; V620-I623 PolarHBondContact O-N 3.42Å; I623-K625 VanDerWaalsContact C-N 3.32Å; I623-K625 PolarHBondContact O-N 3.2Å; I623-A626 PolarHBondContact O-N 2.73Å; I623-A626 VanDerWaalsContact O-N 3.1Å; I623-V627 HydrophobicContact CG2-CG2 4.4Å; I623-V627 WeakPolarHBondContact O-CG2 3.45Å; I623-V627 PolarHBondContact O-N 3.13Å
624	R	91	Very high	82.3	Confident	25 Å²	25	45.1 Å²	45.1	9%	0.094	22%	0.218	C	C	.	.	H	α-helix	trans	-55.4	-47.9	177.2	-176.1	-176.8	171.6	-153.4	-7	111.4	L510 E514 V620 R621 A626 V627 L628 D639	L510-R624 HydrophobicContact CB-CB 4.12Å; L510-R624 HydrophobicContact CB-CG 3.9Å; L510-R624 HydrophobicContact CD1-CB 4.21Å; L510-R624 HydrophobicContact CD1-CG 4.3Å; E514-R624 WeakPolarHBondContact OE2-CD 3.47Å; E514-R624 IonicContact OE2-CZ 3.1Å; E514-R624 IonicContact OE2-NE 2.7Å; E514-R624 IonicContact OE2-NH1 2.65Å; E514-R624 PolarHBondContact OE2-NH1 3.22Å; V620-R624 PolarHBondContact O-N 2.9Å; R621-R624 PolarHBondContact O-N 2.82Å; R624-A626 VanDerWaalsContact C-N 3.32Å; R624-A626 PolarHBondContact O-N 2.84Å; R624-V627 PolarHBondContact O-N 3.46Å; R624-L628 HydrophobicContact CG-CD1 4.1Å; R624-L628 HydrophobicContact CG-CG 4.43Å; R624-L628 VanDerWaalsContact O-CG 3.32Å; R624-L628 WeakPolarHBondContact O-CG 3.29Å; R624-L628 PolarHBondContact O-N 2.91Å; R624-D639 IonicContact NH2-OD1 3.62Å; R624-D639 IonicContact NH2-OD2 3.81Å; R624-D639 PolarHBondContact NH2-OD2 3.43Å
625	K	83.7	Confident	80.7	Confident	36 Å²	36	42.7 Å²	42.7	16%	0.157	21%	0.213	C	C	.	.	H	α-helix	trans	-59.3	-41.6	176.7	-75.4	170.3	174	176.2	0	112.2	R621 D622 I623 M629 D646	R621-K625 HydrophobicContact CG-CD 4.31Å; R621-K625 WeakPolarHBondContact O-CB 3.24Å; R621-K625 VanDerWaalsContact O-CG 3.28Å; R621-K625 WeakPolarHBondContact O-CG 3.46Å; R621-K625 PolarHBondContact O-N 2.7Å; D622-K625 PolarHBondContact O-N 3.1Å; I623-K625 VanDerWaalsContact C-N 3.32Å; I623-K625 PolarHBondContact O-N 3.2Å; K625-M629 VanDerWaalsContact O-CG 3.26Å; K625-M629 WeakPolarHBondContact O-CG 3.41Å; K625-M629 PolarHBondContact O-N 3.14Å; K625-D646 PolarHBondContact NZ-O 3.48Å
626	A	86.2	Confident	78.9	Confident	21 Å²	21	42.7 Å²	42.7	17%	0.174	21%	0.213	C	C	.	.	H	α-helix	trans	-66.1	-40.2	178.4	0	0	0	0	0	112	V570 D622 I623 R624 M629	V570-A626 HydrophobicContact CB-CB 4.47Å; V570-A626 HydrophobicContact CG2-CB 3.76Å; D622-A626 WeakPolarHBondContact O-CB 3.46Å; D622-A626 PolarHBondContact O-N 2.91Å; I623-A626 PolarHBondContact O-N 2.73Å; I623-A626 VanDerWaalsContact O-N 3.1Å; R624-A626 VanDerWaalsContact C-N 3.32Å; R624-A626 PolarHBondContact O-N 2.84Å; A626-M629 WeakPolarHBondContact O-CB 3.3Å; A626-M629 PolarHBondContact O-N 3.35Å
627	V	86.4	Confident	76.7	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-66.2	-44.9	176.9	173.1	0	0	0	0	111.3	V506 L510 I554 V570 I623 R624 M629 I630	V506-V627 HydrophobicContact CG1-CG1 4.38Å; L510-V627 HydrophobicContact CD1-CB 3.91Å; L510-V627 HydrophobicContact CD1-CG1 4.05Å; L510-V627 HydrophobicContact CD1-CG2 3.89Å; I554-V627 HydrophobicContact CD1-CG2 3.88Å; I554-V627 HydrophobicContact CG2-CG2 4.47Å; V570-V627 HydrophobicContact CG1-CG2 3.85Å; V570-V627 HydrophobicContact CG2-CG2 4.12Å; I623-V627 HydrophobicContact CG2-CG2 4.4Å; I623-V627 WeakPolarHBondContact O-CG2 3.45Å; I623-V627 PolarHBondContact O-N 3.13Å; R624-V627 PolarHBondContact O-N 3.46Å; V627-M629 PolarHBondContact O-N 2.97Å; V627-I630 WeakPolarHBondContact O-CB 3.46Å; V627-I630 PolarHBondContact O-N 3.38Å
628	L	81.4	Confident	74.8	Confident	16 Å²	16	49.1 Å²	49.1	8%	0.084	25%	0.246	C	C	.	.	H	α-helix	trans	-60.5	-20.3	177.5	-69.2	172.9	0	0	0	113.3	R624 I630 R631 L636 F642	R624-L628 HydrophobicContact CG-CD1 4.1Å; R624-L628 HydrophobicContact CG-CG 4.43Å; R624-L628 VanDerWaalsContact O-CG 3.32Å; R624-L628 WeakPolarHBondContact O-CG 3.29Å; R624-L628 PolarHBondContact O-N 2.91Å; L628-I630 VanDerWaalsContact C-N 3.32Å; L628-R631 PolarHBondContact O-N 2.86Å; L628-L636 HydrophobicContact CD2-CD2 3.59Å; L628-F642 HydrophobicContact CD1-CD2 3.76Å; L628-F642 HydrophobicContact CD1-CE2 3.75Å
629	M	75.4	Confident	73	Confident	110 Å²	110	47.3 Å²	47.3	54%	0.542	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-14.5	174.8	-66.4	-80.1	179.9	0	0	113.6	Y566 K625 A626 V627	Y566-M629 HydrophobicContact CD1-CB 4.49Å; K625-M629 VanDerWaalsContact O-CG 3.26Å; K625-M629 WeakPolarHBondContact O-CG 3.41Å; K625-M629 PolarHBondContact O-N 3.14Å; A626-M629 WeakPolarHBondContact O-CB 3.3Å; A626-M629 PolarHBondContact O-N 3.35Å; V627-M629 PolarHBondContact O-N 2.97Å
630	I	72.7	Confident	71	Confident	39 Å²	39	50.1 Å²	50.1	20%	0.2	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-33.2	171.9	-63.4	171.5	0	0	0	110.3	M558 Y561 V570 V627 L628	M558-I630 HydrophobicContact CE-CD1 3.9Å; M558-I630 HydrophobicContact SD-CD1 3.82Å; Y561-I630 HydrophobicContact CD1-CG2 3.96Å; Y561-I630 HydrophobicContact CE1-CG2 3.64Å; V570-I630 HydrophobicContact CG2-CD1 3.68Å; V627-I630 WeakPolarHBondContact O-CB 3.46Å; V627-I630 PolarHBondContact O-N 3.38Å; L628-I630 VanDerWaalsContact C-N 3.32Å
631	R	68.5	Low	68.8	Low	36 Å²	36	52.7 Å²	52.7	14%	0.136	27%	0.269	C	S	.	.	S	Bend	trans	-65.8	143.3	-172.8	-60.1	-65.9	177.7	-148.1	-5.5	112.6	D507 E557 Y561 L628 E635 L636	D507-R631 IonicContact OD1-CZ 3.28Å; D507-R631 IonicContact OD1-NE 3.54Å; D507-R631 PolarHBondContact OD1-NE 2.81Å; D507-R631 IonicContact OD1-NH2 2.89Å; D507-R631 IonicContact OD2-CZ 3.67Å; D507-R631 IonicContact OD2-NE 2.8Å; D507-R631 PolarHBondContact OD2-NE 3.05Å; D507-R631 VanDerWaalsContact OD2-NE 3.1Å; E557-R631 IonicContact OE1-NH1 2.81Å; E557-R631 IonicContact OE1-NH2 3.58Å; E557-R631 PolarHBondContact OE1-NH2 3.31Å; Y561-R631 PolarHBondContact OH-NH1 3.06Å; L628-R631 PolarHBondContact O-N 2.86Å; R631-E635 WeakPolarHBondContact CA-OE2 3.38Å; R631-E635 HydrophobicContact CB-CB 4.29Å; R631-E635 WeakPolarHBondContact CD-OE2 3.45Å; R631-E635 IonicContact NH1-OE2 2.73Å; R631-L636 HydrophobicContact CB-CD2 3.81Å; R631-L636 HydrophobicContact CB-CG 3.96Å; R631-L636 HydrophobicContact CG-CD2 4.33Å
632	T	58.5	Low	66.4	Low	42 Å²	42	54.3 Å²	54.3	26%	0.258	28%	0.277	S	S	.	.			trans	-74.2	153.6	172.2	62.3	0	0	0	0	110.8	E634 E635 L636 A702	T632-E634 PolarHBondContact O-N 3.44Å; T632-E634 VanDerWaalsContact O-N 3.17Å; T632-E635 PolarHBondContact N-OE2 2.99Å; T632-E635 WeakPolarHBondContact O-CB 3.16Å; T632-E635 PolarHBondContact O-N 3.4Å; T632-E635 VanDerWaalsContact OG1-CG 3.25Å; T632-E635 WeakPolarHBondContact OG1-CG 3.36Å; T632-E635 PolarHBondContact OG1-N 3.39Å; T632-E635 PolarHBondContact OG1-OE1 3.19Å; T632-L636 WeakPolarHBondContact O-CG 3.45Å; T632-L636 PolarHBondContact O-N 3.5Å; T632-A702 HydrophobicContact CG2-CB 4.49Å
633	P	52.3	Low	63.9	Low	49 Å²	49	59 Å²	59	32%	0.318	30%	0.298	S	S	.	.	H	α-helix	trans	-55.7	-31.7	174.2	-26.3	34.7	0	0	0	113.6	L636 E637 D698	P633-L636 PolarHBondContact O-N 3.01Å; P633-E637 PolarHBondContact O-N 3.01Å; P633-D698 HydrophobicContact CG-CB 3.64Å
634	E	48.3	Very low	61.3	Low	148 Å²	148	62.7 Å²	62.7	69%	0.692	32%	0.315	S	S	*	.	H	α-helix	trans	-66.3	-36.3	176	-67	167.2	-178.6	0	0	111.6	T632	T632-E634 PolarHBondContact O-N 3.44Å; T632-E634 VanDerWaalsContact O-N 3.17Å
635	E	55.6	Low	58.3	Low	94 Å²	94	67.6 Å²	67.6	44%	0.439	34%	0.339	S	S	.	.	H	α-helix	trans	-71.3	-30.1	171.6	-71.8	155.9	-142.6	0	0	112.5	R631 T632	R631-E635 WeakPolarHBondContact CA-OE2 3.38Å; R631-E635 HydrophobicContact CB-CB 4.29Å; R631-E635 WeakPolarHBondContact CD-OE2 3.45Å; R631-E635 IonicContact NH1-OE2 2.73Å; T632-E635 PolarHBondContact N-OE2 2.99Å; T632-E635 WeakPolarHBondContact O-CB 3.16Å; T632-E635 PolarHBondContact O-N 3.4Å; T632-E635 VanDerWaalsContact OG1-CG 3.25Å; T632-E635 WeakPolarHBondContact OG1-CG 3.36Å; T632-E635 PolarHBondContact OG1-N 3.39Å; T632-E635 PolarHBondContact OG1-OE1 3.19Å
636	L	55.5	Low	55.9	Low	63 Å²	63	69.9 Å²	69.9	33%	0.33	35%	0.353	S	S	.	.	H	α-helix	trans	-82.1	-12	-178.8	-65.8	175.8	0	0	0	114.3	L628 R631 T632 P633 D638 D639	L628-L636 HydrophobicContact CD2-CD2 3.59Å; R631-L636 HydrophobicContact CB-CD2 3.81Å; R631-L636 HydrophobicContact CB-CG 3.96Å; R631-L636 HydrophobicContact CG-CD2 4.33Å; T632-L636 WeakPolarHBondContact O-CG 3.45Å; T632-L636 PolarHBondContact O-N 3.5Å; P633-L636 PolarHBondContact O-N 3.01Å; L636-D638 PolarHBondContact O-N 3.28Å; L636-D639 PolarHBondContact O-N 3.06Å
637	E	50.4	Low	53.5	Low	128 Å²	128	70 Å²	70	60%	0.598	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-20.4	178.8	-74.3	-164.8	179.9	0	0	113.6	R374 P633	R374-E637 IonicContact NH1-OE2 3.72Å; R374-E637 PolarHBondContact NH1-OE2 3.48Å; P633-E637 PolarHBondContact O-N 3.01Å
638	D	53.4	Low	50.8	Low	44 Å²	44	75.3 Å²	75.3	24%	0.235	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-20.1	178.3	-89.4	8.9	0	0	0	113.7	R374 R378 R381 L636 S640	R374-D638 WeakPolarHBondContact CD-OD1 3.32Å; R374-D638 IonicContact CZ-OD1 3.55Å; R374-D638 IonicContact NE-OD1 2.84Å; R378-D638 WeakPolarHBondContact CD-O 3.48Å; R378-D638 PolarHBondContact NE-O 3.37Å; R378-D638 PolarHBondContact NH1-O 2.93Å; R381-D638 IonicContact CZ-OD2 2.66Å; R381-D638 IonicContact NH1-OD2 3.66Å; R381-D638 IonicContact NH2-OD2 2.87Å; R381-D638 PolarHBondContact NH2-OD2 3.2Å; L636-D638 PolarHBondContact O-N 3.28Å; D638-S640 PolarHBondContact O-N 3.05Å
639	D	52.4	Low	48.7	Very low	31 Å²	31	77.9 Å²	77.9	17%	0.166	39%	0.394	C	S	.	.			trans	-85.7	81	-176.5	-160.2	0.1	0	0	0	112.4	R624 L636 D641 F642	R624-D639 IonicContact NH2-OD1 3.62Å; R624-D639 IonicContact NH2-OD2 3.81Å; R624-D639 PolarHBondContact NH2-OD2 3.43Å; L636-D639 PolarHBondContact O-N 3.06Å; D639-D641 PolarHBondContact O-N 3.42Å; D639-D641 PolarHBondContact OD1-N 3.09Å; D639-F642 HydrophobicContact CB-CB 4.49Å; D639-F642 PolarHBondContact O-N 2.81Å
640	S	50.8	Low	46.6	Very low	65 Å²	65	84.4 Å²	84.4	46%	0.455	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-17.5	173.8	68	0	0	0	0	114.2	R378 D638 F642	R378-S640 VanDerWaalsContact CZ-OG 3.28Å; R378-S640 PolarHBondContact NE-OG 3.26Å; R378-S640 PolarHBondContact NH2-OG 3.28Å; D638-S640 PolarHBondContact O-N 3.05Å; S640-F642 VanDerWaalsContact C-N 3.3Å
641	D	48.9	Very low	45.2	Very low	54 Å²	54	83.9 Å²	83.9	29%	0.289	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-2.9	-175.1	-64.6	-5.1	0	0	0	111.4	R330 K382 D639 E643	R330-D641 IonicContact NH1-OD2 3.66Å; K382-D641 IonicContact NZ-OD2 2.89Å; K382-D641 PolarHBondContact NZ-OD2 3.11Å; D639-D641 PolarHBondContact O-N 3.42Å; D639-D641 PolarHBondContact OD1-N 3.09Å; D641-E643 PolarHBondContact O-N 2.94Å
642	F	39.7	Very low	44.2	Very low	88 Å²	88	90.9 Å²	90.9	39%	0.386	44%	0.438	S	S	.	.			trans	-82.2	68.3	171.4	-159.5	-98.6	0	0	0	110.6	L628 D639 S640 Q644	L628-F642 HydrophobicContact CD1-CD2 3.76Å; L628-F642 HydrophobicContact CD1-CE2 3.75Å; D639-F642 HydrophobicContact CB-CB 4.49Å; D639-F642 PolarHBondContact O-N 2.81Å; S640-F642 VanDerWaalsContact C-N 3.3Å; F642-Q644 HydrophobicContact CD1-CB 4.42Å; F642-Q644 HydrophobicContact CE1-CB 4.12Å; F642-Q644 HydrophobicContact CE1-CG 3.8Å; F642-Q644 HydrophobicContact CZ-CG 4.45Å; F642-Q644 PolarHBondContact O-N 2.91Å
643	E	37.7	Very low	43.7	Very low	150 Å²	150	89.4 Å²	89.4	70%	0.701	43%	0.429	S	S	*	.			trans	-66.9	119.5	153.9	-68.1	-110.3	159.9	0	0	106	D641 E645	D641-E643 PolarHBondContact O-N 2.94Å; E643-E645 PolarHBondContact O-N 3.3Å
644	Q	38	Very low	43.5	Very low	77 Å²	77	87.4 Å²	87.4	36%	0.36	42%	0.417	S	S	.	.			trans	-74.5	55.9	-172.5	-159.9	175.3	11.1	0	0	111.3	F642 Y647 H691	F642-Q644 HydrophobicContact CD1-CB 4.42Å; F642-Q644 HydrophobicContact CE1-CB 4.12Å; F642-Q644 HydrophobicContact CE1-CG 3.8Å; F642-Q644 HydrophobicContact CZ-CG 4.45Å; F642-Q644 PolarHBondContact O-N 2.91Å; Q644-Y647 HydrophobicContact CG-CE2 3.9Å; Q644-Y647 WeakPolarHBondContact CG-OH 3.49Å; Q644-Y647 PolarHBondContact NE2-OH 2.9Å; Q644-H691 PolarHBondContact NE2-CD2 3.33Å; Q644-H691 PolarHBondContact NE2-NE2 3.32Å; Q644-H691 VanDerWaalsContact NE2-NE2 3.14Å; Q644-H691 PolarHBondContact OE1-CD2 3.25Å; Q644-H691 PolarHBondContact OE1-NE2 3.23Å
645	E	29.4	Very low	43.5	Very low	128 Å²	128	85.7 Å²	85.7	60%	0.598	42%	0.416	S	S	*	.			trans	-104.4	128.4	178.8	-65.2	-163.6	150.8	0	0	110.9	R621 E643	R621-E645 PolarHBondContact NH2-O 3.47Å; E643-E645 PolarHBondContact O-N 3.3Å
646	D	32.5	Very low	42.8	Very low	83 Å²	83	89.7 Å²	89.7	44%	0.444	44%	0.435	S	S	.	.			trans	82.2	100.8	161.8	-53.1	-32.3	0	0	0	119.1	K625 K732	K625-D646 PolarHBondContact NZ-O 3.48Å; D646-K732 IonicContact OD1-NZ 3.75Å; D646-K732 PolarHBondContact OD1-NZ 3.46Å
647	Y	35.1	Very low	42.3	Very low	23 Å²	23	88 Å²	88	9%	0.09	43%	0.427	C	S	.	.			trans	-116.9	114.3	-178.1	-69.5	-83.5	0	0	0	111	Q644 K732 G733	Q644-Y647 HydrophobicContact CG-CE2 3.9Å; Q644-Y647 WeakPolarHBondContact CG-OH 3.49Å; Q644-Y647 PolarHBondContact NE2-OH 2.9Å; Y647-K732 WeakPolarHBondContact O-CB 3.49Å; Y647-G733 PolarHBondContact O-N 2.86Å
648	D	30.1	Very low	42	Very low	113 Å²	113	91.2 Å²	91.2	60%	0.604	44%	0.442	S	S	*	.			trans	-136.4	103.7	154.6	-86.4	-42.9	0	0	0	107.5
649	V	36.7	Very low	41.7	Very low	71 Å²	71	95.3 Å²	95.3	43%	0.43	46%	0.464	S	S	.	.			trans	-126.1	142.9	177.1	177.8	0	0	0	0	108.4	P734	V649-P734 WeakPolarHBondContact O-CA 3.28Å; V649-P734 VanDerWaalsContact O-CB 3.26Å; V649-P734 WeakPolarHBondContact O-CB 3.36Å
650	R	32.6	Very low	41.6	Very low	247 Å²	247	97.4 Å²	97.4	93%	0.932	48%	0.475	S	S	*	.			trans	-84.7	126.6	172.2	-69.4	175.6	175.5	173.3	-0.9	110
651	S	42.6	Very low	41.6	Very low	27 Å²	27	100.3 Å²	100.3	19%	0.189	48%	0.481	C	S	.	.			trans	-121.1	155.8	178.9	-178.1	0	0	0	0	112.9	T653 S654 E724 P734	S651-T653 PolarHBondContact O-N 3.4Å; S651-T653 VanDerWaalsContact O-N 3.14Å; S651-T653 PolarHBondContact OG-N 3.26Å; S651-T653 PolarHBondContact OG-OG1 3.48Å; S651-S654 PolarHBondContact O-N 3.36Å; S651-E724 VanDerWaalsContact CB-OE1 3.24Å; S651-E724 WeakPolarHBondContact CB-OE1 3.38Å; S651-E724 PolarHBondContact OG-OE1 3.02Å; S651-E724 PolarHBondContact OG-OE2 2.87Å; S651-P734 VanDerWaalsContact N-CB 3.33Å
652	R	47.3	Very low	41.6	Very low	184 Å²	184	103 Å²	103	69%	0.694	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-10.9	171.1	-67.1	176.1	109.6	147.9	1.5	113.6	S654 K747	R652-S654 VanDerWaalsContact C-N 3.3Å; R652-K747 PolarHBondContact O-NZ 2.91Å
653	T	49.1	Very low	42.2	Very low	10 Å²	10	103.2 Å²	103.2	6%	0.061	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-20	178.3	-36.5	0	0	0	0	113	S651 E724 L735 A744 K747	S651-T653 PolarHBondContact O-N 3.4Å; S651-T653 VanDerWaalsContact O-N 3.14Å; S651-T653 PolarHBondContact OG-N 3.26Å; S651-T653 PolarHBondContact OG-OG1 3.48Å; T653-E724 WeakPolarHBondContact CB-OE2 3.37Å; T653-E724 PolarHBondContact OG1-OE2 3.26Å; T653-L735 HydrophobicContact CG2-CD2 3.61Å; T653-A744 HydrophobicContact CG2-CB 3.68Å; T653-K747 HydrophobicContact CG2-CD 4.35Å
654	S	48.2	Very low	43	Very low	8 Å²	8	101.3 Å²	101.3	6%	0.056	51%	0.509	C	S	.	.	S	Bend	trans	-104.6	-0.2	-177.2	-174	0	0	0	0	114.7	S651 R652 Q656 T657 P734 K736 D740	S651-S654 PolarHBondContact O-N 3.36Å; R652-S654 VanDerWaalsContact C-N 3.3Å; S654-Q656 PolarHBondContact O-N 3.43Å; S654-T657 PolarHBondContact O-N 2.97Å; S654-P734 VanDerWaalsContact CB-O 3.31Å; S654-P734 WeakPolarHBondContact CB-O 3.39Å; S654-P734 PolarHBondContact OG-O 2.98Å; S654-K736 WeakPolarHBondContact OG-CD 3.4Å; S654-K736 WeakPolarHBondContact OG-CE 3.43Å; S654-K736 WeakPolarHBondContact OG-CG 2.99Å; S654-D740 VanDerWaalsContact CB-OD2 3.31Å; S654-D740 WeakPolarHBondContact CB-OD2 3.39Å; S654-D740 PolarHBondContact OG-OD2 3.4Å
655	V	47.9	Very low	43.8	Very low	112 Å²	112	100.4 Å²	100.4	68%	0.679	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.5	-168.6	178.7	0	0	0	0	114
656	Q	40.7	Very low	45.2	Very low	178 Å²	178	97.8 Å²	97.8	83%	0.832	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	7.4	-173.5	-72.4	-173.5	-15.3	0	0	116	S654	S654-Q656 PolarHBondContact O-N 3.43Å
657	T	43.9	Very low	46.9	Very low	26 Å²	26	95 Å²	95	16%	0.16	50%	0.495	C	S	.	.			trans	-112.5	97.2	172.6	55.7	0	0	0	0	110.5	S654 N737 D740	S654-T657 PolarHBondContact O-N 2.97Å; T657-N737 WeakPolarHBondContact CB-ND2 3.22Å; T657-N737 PolarHBondContact OG1-ND2 2.93Å; T657-D740 PolarHBondContact OG1-OD1 3Å
658	E	45.8	Very low	48.6	Very low	197 Å²	197	94.3 Å²	94.3	92%	0.921	49%	0.494	S	S	*	.			trans	-68.7	-20.7	169	-69.7	-177.5	160.7	0	0	111.9
659	D	46.9	Very low	50.4	Low	129 Å²	129	91.4 Å²	91.4	69%	0.69	48%	0.475	S	S	*	.	S	Bend	trans	-105.7	112.6	177.1	-73.3	-36	0	0	0	111.7	Q661	D659-Q661 VanDerWaalsContact C-N 3.31Å; D659-Q661 PolarHBondContact O-N 2.85Å
660	D	49	Very low	51.9	Low	76 Å²	76	89.4 Å²	89.4	41%	0.406	47%	0.466	S	S	.	.			trans	-62.8	98.4	156.2	-108.3	-0.1	0	0	0	107	L662 K736	D660-L662 VanDerWaalsContact C-N 3.34Å; D660-L662 PolarHBondContact O-N 3.28Å; D660-K736 WeakPolarHBondContact OD1-CB 3.41Å
661	Q	51.2	Low	53.8	Low	126 Å²	126	80.1 Å²	80.1	59%	0.589	43%	0.434	S	S	*	.			trans	-61.5	99.8	171.7	-70.4	-177.3	4.6	0	0	108.4	D659 I663	D659-Q661 VanDerWaalsContact C-N 3.31Å; D659-Q661 PolarHBondContact O-N 2.85Å; Q661-I663 PolarHBondContact O-N 3.31Å
662	L	48.4	Very low	55.3	Low	110 Å²	110	80.9 Å²	80.9	58%	0.576	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	116.7	177.6	-63	174.6	0	0	0	109.2	D660 Q666	D660-L662 VanDerWaalsContact C-N 3.34Å; D660-L662 PolarHBondContact O-N 3.28Å; L662-Q666 CarbonylContact C-O 3.55Å; L662-Q666 WeakPolarHBondContact CA-O 3.5Å
663	I	53	Low	56.5	Low	92 Å²	92	74.1 Å²	74.1	47%	0.472	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	113.9	169.1	-59.6	172.7	0	0	0	106.2	Q661 G665 Q666 A668 I671	Q661-I663 PolarHBondContact O-N 3.31Å; I663-G665 PolarHBondContact O-N 2.66Å; I663-G665 VanDerWaalsContact O-N 3.14Å; I663-Q666 PolarHBondContact N-O 3.42Å; I663-Q666 PolarHBondContact O-N 2.92Å; I663-Q666 VanDerWaalsContact O-N 3.15Å; I663-A668 HydrophobicContact CD1-CB 4.29Å; I663-I671 HydrophobicContact CB-CD1 3.66Å; I663-I671 HydrophobicContact CD1-CD1 4.49Å; I663-I671 HydrophobicContact CG2-CD1 3.92Å
664	A	54.3	Low	57.7	Low	110 Å²	110	79.5 Å²	79.5	91%	0.909	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	36	-177.5	0	0	0	0	0	114.6
665	G	55.6	Low	59.1	Low	58 Å²	58	80.6 Å²	80.6	60%	0.598	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.4	-0	176.6	0	0	0	0	0	115.8	I663	I663-G665 PolarHBondContact O-N 2.66Å; I663-G665 VanDerWaalsContact O-N 3.14Å
666	Q	59.5	Low	60.5	Low	74 Å²	74	79 Å²	79	35%	0.346	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	149	174.7	-68.3	-177.6	-21.6	0	0	110.9	L662 I663 A670 I671	L662-Q666 CarbonylContact C-O 3.55Å; L662-Q666 WeakPolarHBondContact CA-O 3.5Å; I663-Q666 PolarHBondContact N-O 3.42Å; I663-Q666 PolarHBondContact O-N 2.92Å; I663-Q666 VanDerWaalsContact O-N 3.15Å; Q666-A670 HydrophobicContact CB-CB 4.33Å; Q666-I671 HydrophobicContact CB-CD1 4.43Å; Q666-I671 HydrophobicContact CB-CG1 3.93Å
667	S	66.3	Low	62.2	Low	24 Å²	24	77.6 Å²	77.6	17%	0.168	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	149.5	170.8	73.4	0	0	0	0	110	R669 A670 I671	S667-R669 PolarHBondContact O-N 3.12Å; S667-R669 VanDerWaalsContact O-N 3.16Å; S667-A670 WeakPolarHBondContact O-CB 3.24Å; S667-A670 PolarHBondContact O-N 3.39Å; S667-A670 WeakPolarHBondContact OG-CB 3.33Å; S667-A670 PolarHBondContact OG-N 2.9Å; S667-I671 PolarHBondContact O-N 3.32Å
668	A	72.3	Confident	63.8	Low	8 Å²	8	82.6 Å²	82.6	7%	0.066	46%	0.455	C	S	.	.	H	α-helix	trans	-57.1	-33.5	178.8	0	0	0	0	0	112	I663 I671 M672 F728	I663-A668 HydrophobicContact CD1-CB 4.29Å; A668-I671 PolarHBondContact O-N 3.01Å; A668-M672 WeakPolarHBondContact O-CG 3.38Å; A668-M672 PolarHBondContact O-N 3.07Å; A668-M672 VanDerWaalsContact O-N 3.09Å; A668-F728 HydrophobicContact CB-CE2 4.48Å; A668-F728 HydrophobicContact CB-CZ 3.97Å
669	R	67	Low	65.3	Low	52 Å²	52	77.7 Å²	77.7	20%	0.196	43%	0.432	C	S	.	.	H	α-helix	trans	-61.8	-46.2	172	-171	-172.6	-62.7	-178.8	1.6	112.6	S667 I671 M672 A673 F728 G731 G733 P734 L735 K736	S667-R669 PolarHBondContact O-N 3.12Å; S667-R669 VanDerWaalsContact O-N 3.16Å; R669-I671 VanDerWaalsContact C-N 3.28Å; R669-I671 PolarHBondContact O-N 3.32Å; R669-M672 PolarHBondContact O-N 2.87Å; R669-A673 PolarHBondContact O-N 3.39Å; R669-F728 HydrophobicContact CB-CE2 4.43Å; R669-G731 WeakPolarHBondContact CD-O 2.84Å; R669-G731 VanDerWaalsContact CG-C 3.48Å; R669-G731 WeakPolarHBondContact CG-O 3.43Å; R669-G731 WeakPolarHBondContact O-CA 3.45Å; R669-G733 PolarHBondContact NH1-O 3.41Å; R669-G733 VanDerWaalsContact NH1-O 3.12Å; R669-G733 PolarHBondContact NH2-O 3.48Å; R669-P734 PolarHBondContact NH2-O 3.4Å; R669-L735 VanDerWaalsContact CZ-O 3.3Å; R669-L735 PolarHBondContact NE-O 3.22Å; R669-L735 PolarHBondContact NH2-O 3.37Å; R669-K736 PolarHBondContact N-O 3.03Å
670	A	67.9	Low	66.7	Low	29 Å²	29	75.1 Å²	75.1	24%	0.24	42%	0.415	C	S	.	.	H	α-helix	trans	-62.4	-36.8	177.4	0	0	0	0	0	111.9	Q666 S667 A673 Q674	Q666-A670 HydrophobicContact CB-CB 4.33Å; S667-A670 WeakPolarHBondContact O-CB 3.24Å; S667-A670 PolarHBondContact O-N 3.39Å; S667-A670 WeakPolarHBondContact OG-CB 3.33Å; S667-A670 PolarHBondContact OG-N 2.9Å; A670-A673 PolarHBondContact O-N 3.43Å; A670-Q674 WeakPolarHBondContact O-CB 3.37Å; A670-Q674 WeakPolarHBondContact O-CG 3.49Å; A670-Q674 PolarHBondContact O-N 3.01Å
671	I	73	Confident	68	Low	53 Å²	53	74.1 Å²	74.1	27%	0.272	42%	0.417	S	S	.	.	H	α-helix	trans	-62.4	-45.8	174	-64.4	171.7	0	0	0	110.7	I663 Q666 S667 A668 R669 A673 Q674 L675	I663-I671 HydrophobicContact CB-CD1 3.66Å; I663-I671 HydrophobicContact CD1-CD1 4.49Å; I663-I671 HydrophobicContact CG2-CD1 3.92Å; Q666-I671 HydrophobicContact CB-CD1 4.43Å; Q666-I671 HydrophobicContact CB-CG1 3.93Å; S667-I671 PolarHBondContact O-N 3.32Å; A668-I671 PolarHBondContact O-N 3.01Å; R669-I671 VanDerWaalsContact C-N 3.28Å; R669-I671 PolarHBondContact O-N 3.32Å; I671-A673 VanDerWaalsContact C-N 3.31Å; I671-A673 PolarHBondContact O-N 3.43Å; I671-Q674 CarbonylContact O-C 3.46Å; I671-Q674 PolarHBondContact O-N 2.84Å; I671-L675 PolarHBondContact O-N 3.48Å
672	M	74.1	Confident	69.4	Low	43 Å²	43	73.5 Å²	73.5	21%	0.212	41%	0.413	C	S	.	.	H	α-helix	trans	-62.2	-38.9	176.1	-63.6	-55.3	-76	0	0	111.8	A668 R669 Q674 L675 I683 F728 T729	A668-M672 WeakPolarHBondContact O-CG 3.38Å; A668-M672 PolarHBondContact O-N 3.07Å; A668-M672 VanDerWaalsContact O-N 3.09Å; R669-M672 PolarHBondContact O-N 2.87Å; M672-Q674 PolarHBondContact O-N 3.29Å; M672-L675 HydrophobicContact CB-CD1 4.46Å; M672-L675 HydrophobicContact CE-CD1 3.71Å; M672-L675 WeakPolarHBondContact O-CD1 3.35Å; M672-L675 WeakPolarHBondContact O-CG 3.38Å; M672-L675 PolarHBondContact O-N 2.89Å; M672-L675 HydrophobicContact SD-CD1 3.87Å; M672-I683 HydrophobicContact CE-CD1 4.26Å; M672-F728 HydrophobicContact CG-CE1 4.24Å; M672-T729 VanDerWaalsContact CE-O 3.32Å; M672-T729 WeakPolarHBondContact CE-O 3.15Å
673	A	72.8	Confident	70.8	Confident	42 Å²	42	70 Å²	70	35%	0.347	39%	0.394	S	S	.	.	H	α-helix	trans	-66.1	-23.2	174.7	0	0	0	0	0	113.1	R669 A670 I671 K680	R669-A673 PolarHBondContact O-N 3.39Å; A670-A673 PolarHBondContact O-N 3.43Å; I671-A673 VanDerWaalsContact C-N 3.31Å; I671-A673 PolarHBondContact O-N 3.43Å; A673-K680 WeakPolarHBondContact O-CE 3.21Å; A673-K680 PolarHBondContact O-NZ 3.2Å
674	Q	75	Confident	71.9	Confident	123 Å²	123	68.1 Å²	68.1	58%	0.575	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	9.3	-179.2	-69.1	-177.3	18.8	0	0	114.1	A670 I671 M672	A670-Q674 WeakPolarHBondContact O-CB 3.37Å; A670-Q674 WeakPolarHBondContact O-CG 3.49Å; A670-Q674 PolarHBondContact O-N 3.01Å; I671-Q674 CarbonylContact O-C 3.46Å; I671-Q674 PolarHBondContact O-N 2.84Å; M672-Q674 PolarHBondContact O-N 3.29Å
675	L	76.3	Confident	73.2	Confident	30 Å²	30	68.9 Å²	68.9	16%	0.157	38%	0.377	C	S	.	.			trans	-56.3	147	176.8	-70.7	169.1	0	0	0	111.9	I671 M672 E679 K680 I683	I671-L675 PolarHBondContact O-N 3.48Å; M672-L675 HydrophobicContact CB-CD1 4.46Å; M672-L675 HydrophobicContact CE-CD1 3.71Å; M672-L675 WeakPolarHBondContact O-CD1 3.35Å; M672-L675 WeakPolarHBondContact O-CG 3.38Å; M672-L675 PolarHBondContact O-N 2.89Å; M672-L675 HydrophobicContact SD-CD1 3.87Å; L675-E679 HydrophobicContact CB-CB 4.43Å; L675-E679 WeakPolarHBondContact CD2-OE2 3.43Å; L675-K680 HydrophobicContact CB-CG 4.02Å; L675-K680 WeakPolarHBondContact O-CE 3.35Å; L675-I683 HydrophobicContact CD1-CD1 3.56Å
676	P	78.3	Confident	74.3	Confident	80 Å²	80	71.9 Å²	71.9	52%	0.519	38%	0.375	S	S	.	.			trans	-52.6	145	173.1	-24.7	33.4	0	0	0	111.9	E678 E679 K680	P676-E678 PolarHBondContact O-N 2.87Å; P676-E678 VanDerWaalsContact O-N 3.1Å; P676-E679 PolarHBondContact O-N 3.35Å; P676-K680 PolarHBondContact O-N 3.49Å
677	Q	76.1	Confident	75.2	Confident	147 Å²	147	68.9 Å²	68.9	69%	0.687	36%	0.362	S	S	*	.	H	α-helix	trans	-56.6	-33.2	-175.3	-167.6	64.8	8	0	0	113.2	K680 A681	Q677-K680 PolarHBondContact O-N 2.88Å; Q677-A681 WeakPolarHBondContact O-CB 3.42Å; Q677-A681 PolarHBondContact O-N 3.48Å
678	E	76.6	Confident	75.8	Confident	132 Å²	132	72.8 Å²	72.8	62%	0.617	38%	0.378	S	S	*	.	H	α-helix	trans	-65.5	-38.1	175.8	-164.1	-166.4	147.5	0	0	112.4	P676 K682	P676-E678 PolarHBondContact O-N 2.87Å; P676-E678 VanDerWaalsContact O-N 3.1Å; E678-K682 WeakPolarHBondContact O-CG 3.03Å; E678-K682 PolarHBondContact O-N 2.91Å; E678-K682 WeakPolarHBondContact OE1-CE 3.41Å; E678-K682 IonicContact OE1-NZ 2.77Å; E678-K682 PolarHBondContact OE1-NZ 2.9Å
679	E	78.5	Confident	76.2	Confident	93 Å²	93	76.2 Å²	76.2	44%	0.435	39%	0.394	S	S	.	.	H	α-helix	trans	-73.8	-40.3	176.7	-65.9	-171.2	164.2	0	0	111.1	L675 P676 A681 K682 I683	L675-E679 HydrophobicContact CB-CB 4.43Å; L675-E679 WeakPolarHBondContact CD2-OE2 3.43Å; P676-E679 PolarHBondContact O-N 3.35Å; E679-A681 VanDerWaalsContact C-N 3.31Å; E679-A681 PolarHBondContact O-N 3.45Å; E679-K682 PolarHBondContact O-N 3.15Å; E679-I683 WeakPolarHBondContact O-CG1 3.47Å; E679-I683 PolarHBondContact O-N 3.35Å
680	K	75.4	Confident	77	Confident	76 Å²	76	76.2 Å²	76.2	33%	0.33	40%	0.396	S	S	.	.	H	α-helix	trans	-58.3	-42.3	172.1	-72.9	-176.4	174.2	178.4	0	112.2	A673 L675 P676 Q677 I683 A684	A673-K680 WeakPolarHBondContact O-CE 3.21Å; A673-K680 PolarHBondContact O-NZ 3.2Å; L675-K680 HydrophobicContact CB-CG 4.02Å; L675-K680 WeakPolarHBondContact O-CE 3.35Å; P676-K680 PolarHBondContact O-N 3.49Å; Q677-K680 PolarHBondContact O-N 2.88Å; K680-I683 PolarHBondContact O-N 3.16Å; K680-A684 WeakPolarHBondContact O-CB 3.3Å; K680-A684 PolarHBondContact O-N 2.94Å
681	A	77.2	Confident	77.6	Confident	55 Å²	55	75.6 Å²	75.6	46%	0.455	39%	0.388	S	S	.	.	H	α-helix	trans	-63.2	-42	177	0	0	0	0	0	112	Q677 E679 A684 E685	Q677-A681 WeakPolarHBondContact O-CB 3.42Å; Q677-A681 PolarHBondContact O-N 3.48Å; E679-A681 VanDerWaalsContact C-N 3.31Å; E679-A681 PolarHBondContact O-N 3.45Å; A681-A684 PolarHBondContact O-N 3.41Å; A681-E685 PolarHBondContact O-N 3.39Å
682	K	80.6	Confident	77.9	Confident	112 Å²	112	77.7 Å²	77.7	49%	0.487	40%	0.397	S	S	.	.	H	α-helix	trans	-64.3	-40	174.7	-71.7	170.6	-171.6	162.1	0	112.2	E678 E679 Q686	E678-K682 WeakPolarHBondContact O-CG 3.03Å; E678-K682 PolarHBondContact O-N 2.91Å; E678-K682 WeakPolarHBondContact OE1-CE 3.41Å; E678-K682 IonicContact OE1-NZ 2.77Å; E678-K682 PolarHBondContact OE1-NZ 2.9Å; E679-K682 PolarHBondContact O-N 3.15Å; K682-Q686 WeakPolarHBondContact O-CG 3.34Å; K682-Q686 PolarHBondContact O-N 3.14Å
683	I	77.2	Confident	78.3	Confident	36 Å²	36	80.9 Å²	80.9	19%	0.185	41%	0.411	C	S	.	.	H	α-helix	trans	-63.6	-47.6	174.2	-68.8	168.8	0	0	0	109.5	M672 L675 E679 K680 E685 Q686 V687 R730	M672-I683 HydrophobicContact CE-CD1 4.26Å; L675-I683 HydrophobicContact CD1-CD1 3.56Å; E679-I683 WeakPolarHBondContact O-CG1 3.47Å; E679-I683 PolarHBondContact O-N 3.35Å; K680-I683 PolarHBondContact O-N 3.16Å; I683-E685 VanDerWaalsContact C-N 3.34Å; I683-E685 PolarHBondContact O-N 3.03Å; I683-Q686 PolarHBondContact O-N 2.96Å; I683-Q686 VanDerWaalsContact O-N 3.1Å; I683-V687 HydrophobicContact CG2-CG2 3.88Å; I683-V687 WeakPolarHBondContact O-CB 3.47Å; I683-V687 WeakPolarHBondContact O-CG2 3.28Å; I683-V687 PolarHBondContact O-N 3.18Å; I683-R730 HydrophobicContact CG2-CG 4.24Å
684	A	75.6	Confident	78.8	Confident	53 Å²	53	81.3 Å²	81.3	44%	0.438	41%	0.405	S	S	.	.	H	α-helix	trans	-58	-42.8	179.2	0	0	0	0	0	112.5	K680 A681 Q686 V687 E688	K680-A684 WeakPolarHBondContact O-CB 3.3Å; K680-A684 PolarHBondContact O-N 2.94Å; A681-A684 PolarHBondContact O-N 3.41Å; A684-Q686 PolarHBondContact O-N 3.09Å; A684-V687 WeakPolarHBondContact O-CB 3.35Å; A684-V687 PolarHBondContact O-N 3.41Å; A684-E688 WeakPolarHBondContact O-CB 3.4Å; A684-E688 PolarHBondContact O-N 3.38Å
685	E	81.3	Confident	78.9	Confident	126 Å²	126	78.8 Å²	78.8	59%	0.589	40%	0.401	S	S	*	.	H	α-helix	trans	-61.3	-42.1	174.7	-172.4	-174.5	-176.5	0	0	112.2	A681 I683 E688 I689	A681-E685 PolarHBondContact O-N 3.39Å; I683-E685 VanDerWaalsContact C-N 3.34Å; I683-E685 PolarHBondContact O-N 3.03Å; E685-E688 PolarHBondContact O-N 3.15Å; E685-I689 WeakPolarHBondContact O-CG1 3.28Å; E685-I689 PolarHBondContact O-N 3.01Å
686	Q	80.2	Confident	79.1	Confident	121 Å²	121	83.3 Å²	83.3	57%	0.565	42%	0.419	S	S	*	.	H	α-helix	trans	-68.9	-35.7	175.7	-67.7	-61.8	-65.4	0	0	112.5	K682 I683 A684 E688 I689 F690	K682-Q686 WeakPolarHBondContact O-CG 3.34Å; K682-Q686 PolarHBondContact O-N 3.14Å; I683-Q686 PolarHBondContact O-N 2.96Å; I683-Q686 VanDerWaalsContact O-N 3.1Å; A684-Q686 PolarHBondContact O-N 3.09Å; Q686-E688 VanDerWaalsContact C-N 3.35Å; Q686-I689 PolarHBondContact O-N 3.29Å; Q686-F690 WeakPolarHBondContact O-CB 3.48Å; Q686-F690 PolarHBondContact O-N 3.14Å
687	V	78.1	Confident	79.3	Confident	12 Å²	12	82.5 Å²	82.5	7%	0.073	41%	0.41	C	S	.	.	H	α-helix	trans	-64.3	-42.3	176	172.1	0	0	0	0	109.9	I683 A684 F690 H691 T726 R730	I683-V687 HydrophobicContact CG2-CG2 3.88Å; I683-V687 WeakPolarHBondContact O-CB 3.47Å; I683-V687 WeakPolarHBondContact O-CG2 3.28Å; I683-V687 PolarHBondContact O-N 3.18Å; A684-V687 WeakPolarHBondContact O-CB 3.35Å; A684-V687 PolarHBondContact O-N 3.41Å; V687-F690 CarbonylContact O-C 3.59Å; V687-F690 WeakPolarHBondContact O-CA 3.4Å; V687-F690 WeakPolarHBondContact O-CB 3.34Å; V687-F690 PolarHBondContact O-N 3.22Å; V687-H691 VanDerWaalsContact CG1-CE1 3.4Å; V687-H691 WeakPolarHBondContact CG1-CE1 3.45Å; V687-H691 WeakPolarHBondContact CG1-ND1 3.2Å; V687-H691 PolarHBondContact O-N 2.97Å; V687-H691 PolarHBondContact O-ND1 2.97Å; V687-T726 HydrophobicContact CB-CG2 4.29Å; V687-T726 HydrophobicContact CG1-CG2 3.91Å; V687-T726 HydrophobicContact CG2-CG2 3.74Å; V687-R730 HydrophobicContact CG2-CG 4.34Å
688	E	77.4	Confident	79.3	Confident	106 Å²	106	77.3 Å²	77.3	50%	0.495	39%	0.387	S	S	.	.	H	α-helix	trans	-61.4	-46.3	176.1	179	52.5	-142.9	0	0	111.5	A684 E685 Q686 F690 H691 Q692	A684-E688 WeakPolarHBondContact O-CB 3.4Å; A684-E688 PolarHBondContact O-N 3.38Å; E685-E688 PolarHBondContact O-N 3.15Å; Q686-E688 VanDerWaalsContact C-N 3.35Å; E688-F690 VanDerWaalsContact C-N 3.27Å; E688-F690 PolarHBondContact O-N 3.44Å; E688-H691 PolarHBondContact O-N 2.65Å; E688-H691 VanDerWaalsContact O-N 3.13Å; E688-Q692 WeakPolarHBondContact O-CG 3.45Å; E688-Q692 PolarHBondContact O-N 3Å; E688-Q692 PolarHBondContact OE1-NE2 2.96Å
689	I	82.6	Confident	79.2	Confident	79 Å²	79	73.1 Å²	73.1	41%	0.405	38%	0.375	S	S	.	.	H	α-helix	trans	-60.2	-40.3	174	-64.9	164.9	0	0	0	111	E685 Q686 Q692 E693	E685-I689 WeakPolarHBondContact O-CG1 3.28Å; E685-I689 PolarHBondContact O-N 3.01Å; Q686-I689 PolarHBondContact O-N 3.29Å; I689-Q692 PolarHBondContact O-N 2.89Å; I689-E693 PolarHBondContact O-N 3.23Å; I689-E693 VanDerWaalsContact O-N 3.08Å
690	F	82.1	Confident	79.2	Confident	52 Å²	52	72.9 Å²	72.9	23%	0.228	37%	0.374	C	S	.	.	H	α-helix	trans	-64	-40.2	175.7	173.2	-97	0	0	0	111.9	Q686 V687 E688 E693 K694 M722 M723 T726	Q686-F690 WeakPolarHBondContact O-CB 3.48Å; Q686-F690 PolarHBondContact O-N 3.14Å; V687-F690 CarbonylContact O-C 3.59Å; V687-F690 WeakPolarHBondContact O-CA 3.4Å; V687-F690 WeakPolarHBondContact O-CB 3.34Å; V687-F690 PolarHBondContact O-N 3.22Å; E688-F690 VanDerWaalsContact C-N 3.27Å; E688-F690 PolarHBondContact O-N 3.44Å; F690-E693 PolarHBondContact O-N 3.41Å; F690-K694 WeakPolarHBondContact O-CB 3.43Å; F690-K694 PolarHBondContact O-N 3.38Å; F690-M722 HydrophobicContact CE2-CB 3.99Å; F690-M722 HydrophobicContact CE2-SD 4.49Å; F690-M722 HydrophobicContact CZ-CB 3.69Å; F690-M723 HydrophobicContact CD1-SD 4.47Å; F690-M723 HydrophobicContact CE1-CG 4.46Å; F690-M723 HydrophobicContact CE1-SD 3.55Å; F690-M723 VanDerWaalsContact CE1-SD 3.55Å; F690-M723 HydrophobicContact CZ-SD 4.3Å; F690-T726 HydrophobicContact CD1-CG2 3.92Å; F690-T726 HydrophobicContact CE1-CG2 4.21Å; F690-T726 WeakPolarHBondContact CE1-OG1 3.37Å
691	H	80.9	Confident	79.3	Confident	17 Å²	17	69.8 Å²	69.8	8%	0.079	36%	0.362	C	S	.	.	H	α-helix	trans	-64.6	-40.7	176.1	-78.3	62.4	0	0	0	111.4	Q644 V687 E688 E693 K694 S695	Q644-H691 PolarHBondContact NE2-CD2 3.33Å; Q644-H691 PolarHBondContact NE2-NE2 3.32Å; Q644-H691 VanDerWaalsContact NE2-NE2 3.14Å; Q644-H691 PolarHBondContact OE1-CD2 3.25Å; Q644-H691 PolarHBondContact OE1-NE2 3.23Å; V687-H691 VanDerWaalsContact CG1-CE1 3.4Å; V687-H691 WeakPolarHBondContact CG1-CE1 3.45Å; V687-H691 WeakPolarHBondContact CG1-ND1 3.2Å; V687-H691 PolarHBondContact O-N 2.97Å; V687-H691 PolarHBondContact O-ND1 2.97Å; E688-H691 PolarHBondContact O-N 2.65Å; E688-H691 VanDerWaalsContact O-N 3.13Å; H691-E693 VanDerWaalsContact C-N 3.3Å; H691-E693 PolarHBondContact O-N 2.92Å; H691-K694 WeakPolarHBondContact O-CB 3.38Å; H691-K694 PolarHBondContact O-N 2.83Å; H691-S695 PolarHBondContact O-N 2.72Å; H691-S695 PolarHBondContact O-OG 2.81Å; H691-S695 VanDerWaalsContact O-OG 3.04Å
692	Q	79.5	Confident	79	Confident	97 Å²	97	69.1 Å²	69.1	45%	0.453	36%	0.356	S	S	.	.	H	α-helix	trans	-60.9	-39.3	173.6	-68.2	170.7	18.2	0	0	112.3	E688 I689 K696	E688-Q692 WeakPolarHBondContact O-CG 3.45Å; E688-Q692 PolarHBondContact O-N 3Å; E688-Q692 PolarHBondContact OE1-NE2 2.96Å; I689-Q692 PolarHBondContact O-N 2.89Å; Q692-K696 WeakPolarHBondContact O-CG 3.4Å; Q692-K696 PolarHBondContact O-N 2.84Å
693	E	83.2	Confident	78.8	Confident	110 Å²	110	70.2 Å²	70.2	51%	0.514	36%	0.361	S	S	.	.	H	α-helix	trans	-73.1	-36.5	177	-158.2	66.5	-171.7	0	0	112	I689 F690 H691 K696 L697	I689-E693 PolarHBondContact O-N 3.23Å; I689-E693 VanDerWaalsContact O-N 3.08Å; F690-E693 PolarHBondContact O-N 3.41Å; H691-E693 VanDerWaalsContact C-N 3.3Å; H691-E693 PolarHBondContact O-N 2.92Å; E693-K696 WeakPolarHBondContact O-CB 3.46Å; E693-K696 PolarHBondContact O-N 3.34Å; E693-K696 IonicContact OE2-NZ 2.59Å; E693-K696 PolarHBondContact OE2-NZ 3.04Å; E693-L697 PolarHBondContact O-N 3.09Å
694	K	82.3	Confident	78.7	Confident	51 Å²	51	75.3 Å²	75.3	22%	0.222	38%	0.378	C	S	.	.	H	α-helix	trans	-59.2	-46.6	171	-174.5	-139.2	-179	-113.8	0	110.7	F690 H691 K696 L697 D698 M723	F690-K694 WeakPolarHBondContact O-CB 3.43Å; F690-K694 PolarHBondContact O-N 3.38Å; H691-K694 WeakPolarHBondContact O-CB 3.38Å; H691-K694 PolarHBondContact O-N 2.83Å; K694-K696 VanDerWaalsContact C-N 3.26Å; K694-K696 PolarHBondContact O-N 3.33Å; K694-L697 CarbonylContact O-C 3.56Å; K694-L697 WeakPolarHBondContact O-CA 3.36Å; K694-L697 WeakPolarHBondContact O-CB 3.37Å; K694-L697 PolarHBondContact O-N 3Å; K694-D698 WeakPolarHBondContact CE-OD2 3.48Å; K694-D698 IonicContact NZ-OD2 2.87Å; K694-D698 PolarHBondContact NZ-OD2 3.36Å; K694-D698 PolarHBondContact O-N 3.24Å; K694-M723 HydrophobicContact CD-SD 3.64Å; K694-M723 HydrophobicContact CG-SD 4.24Å
695	S	77.3	Confident	78.5	Confident	70 Å²	70	78 Å²	78	49%	0.49	39%	0.385	S	S	.	.	H	α-helix	trans	-59.9	-35.7	176.6	-59.9	0	0	0	0	112.4	H691 A699	H691-S695 PolarHBondContact O-N 2.72Å; H691-S695 PolarHBondContact O-OG 2.81Å; H691-S695 VanDerWaalsContact O-OG 3.04Å; S695-A699 VanDerWaalsContact O-CB 3.29Å; S695-A699 WeakPolarHBondContact O-CB 3.46Å; S695-A699 PolarHBondContact O-N 2.99Å
696	K	81.6	Confident	78	Confident	125 Å²	125	74.6 Å²	74.6	54%	0.543	37%	0.371	S	S	.	.	H	α-helix	trans	-67.7	-39	172.8	-66.4	173.4	-159.5	158.7	0	112.3	Q692 E693 K694 E700	Q692-K696 WeakPolarHBondContact O-CG 3.4Å; Q692-K696 PolarHBondContact O-N 2.84Å; E693-K696 WeakPolarHBondContact O-CB 3.46Å; E693-K696 PolarHBondContact O-N 3.34Å; E693-K696 IonicContact OE2-NZ 2.59Å; E693-K696 PolarHBondContact OE2-NZ 3.04Å; K694-K696 VanDerWaalsContact C-N 3.26Å; K694-K696 PolarHBondContact O-N 3.33Å; K696-E700 WeakPolarHBondContact O-CB 3.46Å; K696-E700 PolarHBondContact O-N 3.43Å
697	L	81.3	Confident	77.2	Confident	63 Å²	63	72.5 Å²	72.5	33%	0.33	37%	0.37	S	S	.	.	H	α-helix	trans	-63.9	-47.8	175.1	176.8	64.3	0	0	0	110.7	E693 K694 A699 E700 V701 C719	E693-L697 PolarHBondContact O-N 3.09Å; K694-L697 CarbonylContact O-C 3.56Å; K694-L697 WeakPolarHBondContact O-CA 3.36Å; K694-L697 WeakPolarHBondContact O-CB 3.37Å; K694-L697 PolarHBondContact O-N 3Å; L697-A699 VanDerWaalsContact C-N 3.34Å; L697-A699 PolarHBondContact O-N 3.06Å; L697-E700 PolarHBondContact O-N 3.28Å; L697-E700 VanDerWaalsContact O-N 3.13Å; L697-V701 HydrophobicContact CD1-CG2 3.99Å; L697-V701 HydrophobicContact CG-CG2 4.32Å; L697-V701 WeakPolarHBondContact O-CB 3.25Å; L697-V701 WeakPolarHBondContact O-CG2 3.45Å; L697-V701 PolarHBondContact O-N 3.03Å; L697-C719 HydrophobicContact CD2-CB 3.68Å
698	D	76.3	Confident	76.8	Confident	37 Å²	37	75.5 Å²	75.5	20%	0.198	40%	0.403	C	S	.	.	H	α-helix	trans	-60.4	-44.7	179.3	-66.8	-22.3	0	0	0	110.6	P633 K694 E700 V701 A702	P633-D698 HydrophobicContact CG-CB 3.64Å; K694-D698 WeakPolarHBondContact CE-OD2 3.48Å; K694-D698 IonicContact NZ-OD2 2.87Å; K694-D698 PolarHBondContact NZ-OD2 3.36Å; K694-D698 PolarHBondContact O-N 3.24Å; D698-E700 VanDerWaalsContact C-N 3.31Å; D698-E700 PolarHBondContact O-N 3.47Å; D698-V701 PolarHBondContact O-N 3.19Å; D698-A702 VanDerWaalsContact O-CB 3.24Å; D698-A702 WeakPolarHBondContact O-CB 3.41Å; D698-A702 PolarHBondContact O-N 3.34Å
699	A	74.1	Confident	76.9	Confident	45 Å²	45	73 Å²	73	37%	0.372	39%	0.393	S	S	.	.	H	α-helix	trans	-64.1	-31	175.6	0	0	0	0	0	113.5	S695 L697 K703	S695-A699 VanDerWaalsContact O-CB 3.29Å; S695-A699 WeakPolarHBondContact O-CB 3.46Å; S695-A699 PolarHBondContact O-N 2.99Å; L697-A699 VanDerWaalsContact C-N 3.34Å; L697-A699 PolarHBondContact O-N 3.06Å; A699-K703 WeakPolarHBondContact O-CE 3.21Å; A699-K703 WeakPolarHBondContact O-CG 3.39Å
700	E	79.1	Confident	76.9	Confident	87 Å²	87	74 Å²	74	41%	0.407	40%	0.4	S	S	.	.	H	α-helix	trans	-77.5	-42.8	175	-172.5	60.9	-149.6	0	0	111.5	K696 L697 D698 K703 W704	K696-E700 WeakPolarHBondContact O-CB 3.46Å; K696-E700 PolarHBondContact O-N 3.43Å; L697-E700 PolarHBondContact O-N 3.28Å; L697-E700 VanDerWaalsContact O-N 3.13Å; D698-E700 VanDerWaalsContact C-N 3.31Å; D698-E700 PolarHBondContact O-N 3.47Å; E700-K703 WeakPolarHBondContact O-CB 3.29Å; E700-K703 PolarHBondContact O-N 2.87Å; E700-K703 IonicContact OE2-NZ 2.83Å; E700-K703 PolarHBondContact OE2-NZ 2.69Å; E700-W704 PolarHBondContact O-NE1 3.47Å; E700-W704 PolarHBondContact OE1-NE1 2.85Å
701	V	76.7	Confident	77	Confident	11 Å²	11	74 Å²	74	7%	0.067	40%	0.401	C	S	.	.	H	α-helix	trans	-64	-39.1	178.3	157.9	0	0	0	0	111.6	L697 D698 K703 W704 I712 A715 K716	L697-V701 HydrophobicContact CD1-CG2 3.99Å; L697-V701 HydrophobicContact CG-CG2 4.32Å; L697-V701 WeakPolarHBondContact O-CB 3.25Å; L697-V701 WeakPolarHBondContact O-CG2 3.45Å; L697-V701 PolarHBondContact O-N 3.03Å; D698-V701 PolarHBondContact O-N 3.19Å; V701-K703 PolarHBondContact O-N 3.44Å; V701-K703 VanDerWaalsContact O-N 3.17Å; V701-W704 PolarHBondContact O-N 2.97Å; V701-W704 VanDerWaalsContact O-N 3.1Å; V701-I712 HydrophobicContact CG1-CG2 3.72Å; V701-A715 HydrophobicContact CG2-CB 4.29Å; V701-K716 HydrophobicContact CG1-CD 4.05Å; V701-K716 HydrophobicContact CG1-CG 3.72Å
702	A	71.9	Confident	76.9	Confident	42 Å²	42	73.9 Å²	73.9	35%	0.347	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.2	179.3	0	0	0	0	0	113.8	T632 D698 W704	T632-A702 HydrophobicContact CG2-CB 4.49Å; D698-A702 VanDerWaalsContact O-CB 3.24Å; D698-A702 WeakPolarHBondContact O-CB 3.41Å; D698-A702 PolarHBondContact O-N 3.34Å; A702-W704 PolarHBondContact O-N 3.07Å
703	K	75.9	Confident	76.8	Confident	134 Å²	134	72.2 Å²	72.2	58%	0.583	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-15.4	176.2	-62.5	169.4	-171.7	170.9	0	113.3	A699 E700 V701	A699-K703 WeakPolarHBondContact O-CE 3.21Å; A699-K703 WeakPolarHBondContact O-CG 3.39Å; E700-K703 WeakPolarHBondContact O-CB 3.29Å; E700-K703 PolarHBondContact O-N 2.87Å; E700-K703 IonicContact OE2-NZ 2.83Å; E700-K703 PolarHBondContact OE2-NZ 2.69Å; V701-K703 PolarHBondContact O-N 3.44Å; V701-K703 VanDerWaalsContact O-N 3.17Å
704	W	74.7	Confident	76.8	Confident	143 Å²	143	67.4 Å²	67.4	54%	0.542	38%	0.375	S	S	.	.	S	Bend	trans	-123.1	134.2	-168.8	-52.7	104.1	0	0	0	110.9	E700 V701 A702 I712	E700-W704 PolarHBondContact O-NE1 3.47Å; E700-W704 PolarHBondContact OE1-NE1 2.85Å; V701-W704 PolarHBondContact O-N 2.97Å; V701-W704 VanDerWaalsContact O-N 3.1Å; A702-W704 PolarHBondContact O-N 3.07Å; W704-I712 HydrophobicContact CB-CD1 3.8Å; W704-I712 HydrophobicContact CB-CG1 3.93Å; W704-I712 HydrophobicContact CG-CD1 4.05Å
705	D	72.5	Confident	76.9	Confident	109 Å²	109	65.8 Å²	65.8	58%	0.583	37%	0.371	S	S	*	.			trans	-66.5	136	168.9	174.5	33.7	0	0	0	110.7	S707 N709	D705-S707 WeakPolarHBondContact OD1-CB 3.27Å; D705-S707 PolarHBondContact OD1-N 3.4Å; D705-S707 VanDerWaalsContact OD1-N 3.14Å; D705-S707 PolarHBondContact OD1-OG 3.39Å; D705-S707 WeakPolarHBondContact OD2-CB 3.45Å; D705-N709 WeakPolarHBondContact O-CB 3.32Å
706	D	70	Confident	76.9	Confident	55 Å²	55	65 Å²	65	29%	0.294	36%	0.359	S	S	.	.	S	Bend	trans	-95.6	-12.4	-179.1	56.6	-1.6	0	0	0	113.9	G708 N709 I712 V713 K716	D706-G708 PolarHBondContact O-N 3.11Å; D706-N709 PolarHBondContact O-N 2.88Å; D706-N709 VanDerWaalsContact O-N 3.15Å; D706-I712 HydrophobicContact CB-CB 4.24Å; D706-I712 HydrophobicContact CB-CG2 3.88Å; D706-V713 HydrophobicContact CB-CG2 4.01Å; D706-K716 IonicContact OD2-NZ 3.94Å; D706-K716 PolarHBondContact OD2-NZ 3.49Å
707	S	63.5	Low	76.9	Confident	77 Å²	77	62.3 Å²	62.3	54%	0.538	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-22.9	-177.5	-48.5	0	0	0	0	114.8	D705	D705-S707 WeakPolarHBondContact OD1-CB 3.27Å; D705-S707 PolarHBondContact OD1-N 3.4Å; D705-S707 VanDerWaalsContact OD1-N 3.14Å; D705-S707 PolarHBondContact OD1-OG 3.39Å; D705-S707 WeakPolarHBondContact OD2-CB 3.45Å
708	G	70.5	Confident	77	Confident	76 Å²	76	60.9 Å²	60.9	78%	0.784	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.3	11.9	176.2	0	0	0	0	0	114.2	D706	D706-G708 PolarHBondContact O-N 3.11Å
709	N	78.6	Confident	77.4	Confident	53 Å²	53	59.6 Å²	59.6	28%	0.283	33%	0.334	S	S	.	.			trans	-125.7	82	-171.6	-164.3	-16.2	0	0	0	111.4	D705 D706 I711 I712 V713	D705-N709 WeakPolarHBondContact O-CB 3.32Å; D706-N709 PolarHBondContact O-N 2.88Å; D706-N709 VanDerWaalsContact O-N 3.15Å; N709-I711 PolarHBondContact O-N 2.83Å; N709-I711 WeakPolarHBondContact OD1-CB 3.24Å; N709-I711 PolarHBondContact OD1-N 3.36Å; N709-I712 HydrophobicContact CB-CB 4.36Å; N709-I712 HydrophobicContact CB-CG1 3.98Å; N709-I712 WeakPolarHBondContact ND2-CG1 3.44Å; N709-I712 WeakPolarHBondContact O-CB 3.49Å; N709-I712 PolarHBondContact O-N 3.32Å; N709-V713 PolarHBondContact O-N 3.21Å
710	D	82.7	Confident	77.6	Confident	101 Å²	101	59.8 Å²	59.8	54%	0.54	33%	0.328	S	S	.	.	H	α-helix	trans	-55	-23.2	177.6	-72.4	-34.3	0	0	0	113.3	I712 L714 L758	D710-I712 VanDerWaalsContact C-N 3.35Å; D710-L714 VanDerWaalsContact O-CB 3.31Å; D710-L714 WeakPolarHBondContact O-CB 3.5Å; D710-L714 WeakPolarHBondContact O-CD1 3.48Å; D710-L714 WeakPolarHBondContact O-CG 3.49Å; D710-L714 PolarHBondContact O-N 3.46Å; D710-L758 HydrophobicContact CB-CD1 3.37Å; D710-L758 HydrophobicContact CB-CD2 4.2Å; D710-L758 HydrophobicContact CB-CG 4.42Å
711	I	84.3	Confident	77.7	Confident	51 Å²	51	55.8 Å²	55.8	26%	0.262	31%	0.309	S	S	.	.	H	α-helix	trans	-65.5	-41.4	174.5	-62.4	176	0	0	0	110.2	N709 L714 A715 M755 L758	N709-I711 PolarHBondContact O-N 2.83Å; N709-I711 WeakPolarHBondContact OD1-CB 3.24Å; N709-I711 PolarHBondContact OD1-N 3.36Å; I711-L714 PolarHBondContact O-N 3.07Å; I711-A715 WeakPolarHBondContact O-CB 3.42Å; I711-A715 PolarHBondContact O-N 2.9Å; I711-M755 HydrophobicContact CG1-CG 4.45Å; I711-M755 HydrophobicContact CG2-CE 4.35Å; I711-M755 HydrophobicContact CG2-CG 4Å; I711-M755 HydrophobicContact CG2-SD 4.22Å; I711-L758 HydrophobicContact CD1-CB 4.16Å; I711-L758 HydrophobicContact CG1-CB 3.84Å; I711-L758 HydrophobicContact CG1-CD1 3.98Å
712	I	80.1	Confident	78.1	Confident	15 Å²	15	58.6 Å²	58.6	8%	0.077	32%	0.322	C	S	.	.	H	α-helix	trans	-67.6	-45.6	177.9	-60.4	-62.8	0	0	0	110.3	V701 W704 D706 N709 D710 L714 A715 K716	V701-I712 HydrophobicContact CG1-CG2 3.72Å; W704-I712 HydrophobicContact CB-CD1 3.8Å; W704-I712 HydrophobicContact CB-CG1 3.93Å; W704-I712 HydrophobicContact CG-CD1 4.05Å; D706-I712 HydrophobicContact CB-CB 4.24Å; D706-I712 HydrophobicContact CB-CG2 3.88Å; N709-I712 HydrophobicContact CB-CB 4.36Å; N709-I712 HydrophobicContact CB-CG1 3.98Å; N709-I712 WeakPolarHBondContact ND2-CG1 3.44Å; N709-I712 WeakPolarHBondContact O-CB 3.49Å; N709-I712 PolarHBondContact O-N 3.32Å; D710-I712 VanDerWaalsContact C-N 3.35Å; I712-L714 VanDerWaalsContact C-N 3.31Å; I712-L714 PolarHBondContact O-N 2.8Å; I712-A715 PolarHBondContact O-N 2.9Å; I712-K716 HydrophobicContact CG2-CD 4.41Å; I712-K716 WeakPolarHBondContact O-CB 3.43Å; I712-K716 WeakPolarHBondContact O-CG 3.46Å; I712-K716 PolarHBondContact O-N 3.36Å
713	V	77.5	Confident	78.5	Confident	62 Å²	62	57.6 Å²	57.6	38%	0.376	31%	0.311	S	S	.	.	H	α-helix	trans	-57.2	-44.5	175.6	179.4	0	0	0	0	111.2	D706 N709 Q717	D706-V713 HydrophobicContact CB-CG2 4.01Å; N709-V713 PolarHBondContact O-N 3.21Å; V713-Q717 WeakPolarHBondContact O-CB 3.45Å; V713-Q717 PolarHBondContact O-N 3.09Å
714	L	82	Confident	78.8	Confident	9 Å²	9	51.9 Å²	51.9	5%	0.047	29%	0.286	C	S	.	.	H	α-helix	trans	-67.7	-38.8	177.5	-71.3	168.8	0	0	0	112.4	D710 I711 I712 Q717 M718 A751 R754 M755 L758	D710-L714 VanDerWaalsContact O-CB 3.31Å; D710-L714 WeakPolarHBondContact O-CB 3.5Å; D710-L714 WeakPolarHBondContact O-CD1 3.48Å; D710-L714 WeakPolarHBondContact O-CG 3.49Å; D710-L714 PolarHBondContact O-N 3.46Å; I711-L714 PolarHBondContact O-N 3.07Å; I712-L714 VanDerWaalsContact C-N 3.31Å; I712-L714 PolarHBondContact O-N 2.8Å; L714-Q717 PolarHBondContact O-N 3.38Å; L714-M718 WeakPolarHBondContact O-CB 3.45Å; L714-M718 VanDerWaalsContact O-CG 3.24Å; L714-M718 WeakPolarHBondContact O-CG 3.36Å; L714-M718 PolarHBondContact O-N 3.22Å; L714-A751 HydrophobicContact CD2-CB 4Å; L714-R754 HydrophobicContact CD1-CB 3.71Å; L714-R754 HydrophobicContact CD2-CB 4.2Å; L714-M755 HydrophobicContact CB-CE 3.71Å; L714-M755 HydrophobicContact CD1-CB 4.03Å; L714-L758 HydrophobicContact CD1-CD1 3.74Å
715	A	83.6	Confident	79.2	Confident	16 Å²	16	47.4 Å²	47.4	13%	0.132	27%	0.272	C	S	.	.	H	α-helix	trans	-62.3	-47.2	176.6	0	0	0	0	0	111.2	V701 I711 I712 Q717 M718 C719 M755	V701-A715 HydrophobicContact CG2-CB 4.29Å; I711-A715 WeakPolarHBondContact O-CB 3.42Å; I711-A715 PolarHBondContact O-N 2.9Å; I712-A715 PolarHBondContact O-N 2.9Å; A715-Q717 PolarHBondContact O-N 3.49Å; A715-M718 PolarHBondContact O-N 3.45Å; A715-C719 WeakPolarHBondContact O-CB 3.22Å; A715-C719 PolarHBondContact O-N 2.94Å; A715-M755 HydrophobicContact CB-CE 4.02Å
716	K	78.2	Confident	79.6	Confident	55 Å²	55	43.1 Å²	43.1	24%	0.239	25%	0.25	C	C	.	.	H	α-helix	trans	-56.5	-48.3	172.9	-77.5	-173.2	-176.6	-178.7	0	111.7	Y566 V701 D706 I712 M718 C719 M720	Y566-K716 HydrophobicContact CE2-CD 4.14Å; Y566-K716 WeakPolarHBondContact OH-CB 3.45Å; V701-K716 HydrophobicContact CG1-CD 4.05Å; V701-K716 HydrophobicContact CG1-CG 3.72Å; D706-K716 IonicContact OD2-NZ 3.94Å; D706-K716 PolarHBondContact OD2-NZ 3.49Å; I712-K716 HydrophobicContact CG2-CD 4.41Å; I712-K716 WeakPolarHBondContact O-CB 3.43Å; I712-K716 WeakPolarHBondContact O-CG 3.46Å; I712-K716 PolarHBondContact O-N 3.36Å; K716-M718 PolarHBondContact O-N 3.39Å; K716-C719 PolarHBondContact O-N 3.36Å; K716-M720 PolarHBondContact O-N 2.94Å
717	Q	80.5	Confident	79.7	Confident	67 Å²	67	41.1 Å²	41.1	31%	0.313	24%	0.239	S	C	.	.	H	α-helix	trans	-59.7	-45.6	176.7	-176.6	179.3	27.4	0	0	112.4	V713 L714 A715 M720 I721	V713-Q717 WeakPolarHBondContact O-CB 3.45Å; V713-Q717 PolarHBondContact O-N 3.09Å; L714-Q717 PolarHBondContact O-N 3.38Å; A715-Q717 PolarHBondContact O-N 3.49Å; Q717-M720 PolarHBondContact O-N 2.95Å; Q717-I721 HydrophobicContact CG-CD1 4.26Å; Q717-I721 WeakPolarHBondContact O-CG1 3.39Å; Q717-I721 PolarHBondContact O-N 2.84Å
718	M	85	Confident	80.5	Confident	34 Å²	34	38.3 Å²	38.3	17%	0.167	22%	0.217	C	C	.	.	H	α-helix	trans	-65	-43	179.2	-72.7	171.2	71.2	0	0	111.5	L714 A715 K716 M720 I721 M722 I748 A751 M755	L714-M718 WeakPolarHBondContact O-CB 3.45Å; L714-M718 VanDerWaalsContact O-CG 3.24Å; L714-M718 WeakPolarHBondContact O-CG 3.36Å; L714-M718 PolarHBondContact O-N 3.22Å; A715-M718 PolarHBondContact O-N 3.45Å; K716-M718 PolarHBondContact O-N 3.39Å; M718-M720 VanDerWaalsContact C-N 3.31Å; M718-M720 PolarHBondContact O-N 3.05Å; M718-I721 PolarHBondContact O-N 3.48Å; M718-M722 HydrophobicContact CB-CE 4.46Å; M718-M722 HydrophobicContact CE-CE 4.38Å; M718-M722 VanDerWaalsContact O-CG 3.32Å; M718-M722 WeakPolarHBondContact O-CG 3.27Å; M718-M722 PolarHBondContact O-N 3.26Å; M718-I748 HydrophobicContact CE-CG2 3.59Å; M718-I748 HydrophobicContact CG-CG2 4.31Å; M718-A751 HydrophobicContact CG-CB 3.49Å; M718-A751 VanDerWaalsContact CG-CB 3.49Å; M718-A751 HydrophobicContact SD-CB 3.86Å; M718-M755 HydrophobicContact SD-CE 3.92Å
719	C	84.8	Confident	80.9	Confident	10 Å²	10	37 Å²	37	7%	0.068	19%	0.194	C	C	.	.	H	α-helix	trans	-57.4	-45.3	176.5	-173.4	0	0	0	0	111.4	L697 A715 K716 I721 M722 M723	L697-C719 HydrophobicContact CD2-CB 3.68Å; A715-C719 WeakPolarHBondContact O-CB 3.22Å; A715-C719 PolarHBondContact O-N 2.94Å; K716-C719 PolarHBondContact O-N 3.36Å; C719-I721 PolarHBondContact O-N 3.04Å; C719-M722 WeakPolarHBondContact O-CB 3.11Å; C719-M722 PolarHBondContact O-N 2.79Å; C719-M723 WeakPolarHBondContact O-CG 3.32Å; C719-M723 PolarHBondContact O-N 3.18Å
720	M	78.1	Confident	80.7	Confident	49 Å²	49	37.6 Å²	37.6	24%	0.241	19%	0.192	C	C	.	.	H	α-helix	trans	-59.7	-45.7	176.6	-175.4	-171.5	77.5	0	0	112.5	K569 K716 Q717 M718 M722 M723 E724	K569-M720 PolarHBondContact NZ-SD 3.31Å; K716-M720 PolarHBondContact O-N 2.94Å; Q717-M720 PolarHBondContact O-N 2.95Å; M718-M720 VanDerWaalsContact C-N 3.31Å; M718-M720 PolarHBondContact O-N 3.05Å; M720-M722 VanDerWaalsContact C-N 3.31Å; M720-M722 PolarHBondContact O-N 3.25Å; M720-M723 WeakPolarHBondContact O-CB 3.49Å; M720-M723 PolarHBondContact O-N 3.06Å; M720-E724 WeakPolarHBondContact O-CG 3.46Å; M720-E724 PolarHBondContact O-N 2.7Å; M720-E724 VanDerWaalsContact O-N 3.07Å
721	I	81.5	Confident	79.9	Confident	3 Å²	3	33.3 Å²	33.3	2%	0.015	17%	0.172	C	C	.	.	H	α-helix	trans	-66.5	-36.2	178.2	-58.8	164.4	0	0	0	110.8	Q717 M718 C719 M723 E724 M725 A744 K747 I748	Q717-I721 HydrophobicContact CG-CD1 4.26Å; Q717-I721 WeakPolarHBondContact O-CG1 3.39Å; Q717-I721 PolarHBondContact O-N 2.84Å; M718-I721 PolarHBondContact O-N 3.48Å; C719-I721 PolarHBondContact O-N 3.04Å; I721-M723 VanDerWaalsContact C-N 3.32Å; I721-M723 PolarHBondContact O-N 3Å; I721-E724 PolarHBondContact O-N 3.2Å; I721-M725 WeakPolarHBondContact O-CG 3.34Å; I721-M725 PolarHBondContact O-N 2.93Å; I721-A744 HydrophobicContact CG2-CB 3.57Å; I721-A744 WeakPolarHBondContact CG2-O 3.47Å; I721-K747 HydrophobicContact CD1-CB 3.82Å; I721-I748 HydrophobicContact CB-CD1 3.99Å; I721-I748 HydrophobicContact CB-CG1 3.74Å; I721-I748 HydrophobicContact CD1-CG1 4.18Å; I721-I748 HydrophobicContact CG2-CD1 3.7Å; I721-I748 HydrophobicContact CG2-CG1 3.63Å
722	M	85.2	Confident	79	Confident	69 Å²	69	33.8 Å²	33.8	34%	0.34	17%	0.172	S	C	.	.	H	α-helix	trans	-63.7	-37.4	173.9	-68.6	179.3	-166.6	0	0	111.8	F690 M718 C719 M720 M725 T726 I748	F690-M722 HydrophobicContact CE2-CB 3.99Å; F690-M722 HydrophobicContact CE2-SD 4.49Å; F690-M722 HydrophobicContact CZ-CB 3.69Å; M718-M722 HydrophobicContact CB-CE 4.46Å; M718-M722 HydrophobicContact CE-CE 4.38Å; M718-M722 VanDerWaalsContact O-CG 3.32Å; M718-M722 WeakPolarHBondContact O-CG 3.27Å; M718-M722 PolarHBondContact O-N 3.26Å; C719-M722 WeakPolarHBondContact O-CB 3.11Å; C719-M722 PolarHBondContact O-N 2.79Å; M720-M722 VanDerWaalsContact C-N 3.31Å; M720-M722 PolarHBondContact O-N 3.25Å; M722-M725 PolarHBondContact O-N 3.47Å; M722-T726 WeakPolarHBondContact O-CB 3.21Å; M722-T726 PolarHBondContact O-N 3.17Å; M722-T726 PolarHBondContact O-OG1 3.43Å; M722-I748 HydrophobicContact CE-CD1 4.46Å; M722-I748 HydrophobicContact CE-CG2 3.96Å; M722-I748 HydrophobicContact CG-CD1 3.64Å
723	M	80.5	Confident	78.2	Confident	21 Å²	21	33.1 Å²	33.1	10%	0.103	17%	0.169	C	C	.	.	H	α-helix	trans	-60.1	-48	171.8	-70.1	-67.7	-55.3	0	0	111.1	F690 K694 C719 M720 I721 M725 T726 D727	F690-M723 HydrophobicContact CD1-SD 4.47Å; F690-M723 HydrophobicContact CE1-CG 4.46Å; F690-M723 HydrophobicContact CE1-SD 3.55Å; F690-M723 VanDerWaalsContact CE1-SD 3.55Å; F690-M723 HydrophobicContact CZ-SD 4.3Å; K694-M723 HydrophobicContact CD-SD 3.64Å; K694-M723 HydrophobicContact CG-SD 4.24Å; C719-M723 WeakPolarHBondContact O-CG 3.32Å; C719-M723 PolarHBondContact O-N 3.18Å; M720-M723 WeakPolarHBondContact O-CB 3.49Å; M720-M723 PolarHBondContact O-N 3.06Å; I721-M723 VanDerWaalsContact C-N 3.32Å; I721-M723 PolarHBondContact O-N 3Å; M723-M725 VanDerWaalsContact C-N 3.27Å; M723-M725 PolarHBondContact O-N 3.1Å; M723-T726 CarbonylContact O-C 3.1Å; M723-T726 WeakPolarHBondContact O-CB 3.11Å; M723-T726 PolarHBondContact O-N 3.4Å; M723-T726 VanDerWaalsContact O-N 3.09Å; M723-D727 VanDerWaalsContact O-CG 3.24Å; M723-D727 PolarHBondContact O-N 3.33Å
724	E	80.5	Confident	77.8	Confident	15 Å²	15	30.6 Å²	30.6	7%	0.07	15%	0.154	C	C	.	.	H	α-helix	trans	-58.7	-38.6	177	-64.2	-179.7	170.8	0	0	112.3	S651 T653 M720 I721 D727 F728 P734 L735	S651-E724 VanDerWaalsContact CB-OE1 3.24Å; S651-E724 WeakPolarHBondContact CB-OE1 3.38Å; S651-E724 PolarHBondContact OG-OE1 3.02Å; S651-E724 PolarHBondContact OG-OE2 2.87Å; T653-E724 WeakPolarHBondContact CB-OE2 3.37Å; T653-E724 PolarHBondContact OG1-OE2 3.26Å; M720-E724 WeakPolarHBondContact O-CG 3.46Å; M720-E724 PolarHBondContact O-N 2.7Å; M720-E724 VanDerWaalsContact O-N 3.07Å; I721-E724 PolarHBondContact O-N 3.2Å; E724-D727 PolarHBondContact O-N 2.74Å; E724-F728 PolarHBondContact O-N 2.89Å; E724-F728 VanDerWaalsContact O-N 3.09Å; E724-P734 HydrophobicContact CB-CG 3.92Å; E724-P734 HydrophobicContact CG-CG 3.61Å; E724-L735 HydrophobicContact CB-CD1 4.21Å; E724-L735 HydrophobicContact CB-CG 4.21Å; E724-L735 WeakPolarHBondContact O-CD1 3.39Å
725	M	83	Confident	77.4	Confident	48 Å²	48	30.2 Å²	30.2	24%	0.236	15%	0.152	C	C	.	.	H	α-helix	trans	-68.4	-40.1	175.6	-69.8	177	70.1	0	0	112.1	I721 M722 M723 D727 F728 T729 L735 V741 A744 A745 I748	I721-M725 WeakPolarHBondContact O-CG 3.34Å; I721-M725 PolarHBondContact O-N 2.93Å; M722-M725 PolarHBondContact O-N 3.47Å; M723-M725 VanDerWaalsContact C-N 3.27Å; M723-M725 PolarHBondContact O-N 3.1Å; M725-D727 VanDerWaalsContact C-N 3.34Å; M725-F728 WeakPolarHBondContact O-CB 3.39Å; M725-F728 PolarHBondContact O-N 2.75Å; M725-T729 PolarHBondContact O-N 3.47Å; M725-L735 HydrophobicContact CB-CD1 4.4Å; M725-L735 HydrophobicContact CG-CD1 3.9Å; M725-V741 HydrophobicContact CE-CG1 3.82Å; M725-V741 HydrophobicContact CG-CG1 4.47Å; M725-A744 HydrophobicContact CG-CB 3.72Å; M725-A744 HydrophobicContact SD-CB 3.92Å; M725-A745 HydrophobicContact CE-CB 4.05Å; M725-A745 HydrophobicContact SD-CB 4.46Å; M725-I748 HydrophobicContact SD-CD1 3.59Å; M725-I748 VanDerWaalsContact SD-CD1 3.59Å
726	T	81.4	Confident	76.9	Confident	20 Å²	20	33.4 Å²	33.4	12%	0.123	16%	0.163	C	C	.	.	H	α-helix	trans	-64.2	-41.3	174.8	-63.1	0	0	0	0	110.6	V687 F690 M722 M723 F728 T729	V687-T726 HydrophobicContact CB-CG2 4.29Å; V687-T726 HydrophobicContact CG1-CG2 3.91Å; V687-T726 HydrophobicContact CG2-CG2 3.74Å; F690-T726 HydrophobicContact CD1-CG2 3.92Å; F690-T726 HydrophobicContact CE1-CG2 4.21Å; F690-T726 WeakPolarHBondContact CE1-OG1 3.37Å; M722-T726 WeakPolarHBondContact O-CB 3.21Å; M722-T726 PolarHBondContact O-N 3.17Å; M722-T726 PolarHBondContact O-OG1 3.43Å; M723-T726 CarbonylContact O-C 3.1Å; M723-T726 WeakPolarHBondContact O-CB 3.11Å; M723-T726 PolarHBondContact O-N 3.4Å; M723-T726 VanDerWaalsContact O-N 3.09Å; T726-F728 VanDerWaalsContact C-N 3.35Å; T726-F728 PolarHBondContact O-N 2.86Å; T726-T729 PolarHBondContact O-N 2.89Å; T726-T729 VanDerWaalsContact O-N 3.14Å; T726-T729 PolarHBondContact O-OG1 2.81Å
727	D	72.9	Confident	76.8	Confident	12 Å²	12	30.9 Å²	30.9	6%	0.064	15%	0.152	C	C	.	.	H	α-helix	trans	-60.6	-42.7	175.7	-68.3	-21.6	0	0	0	112.2	M723 E724 M725 T729 R730 G731 K732	M723-D727 VanDerWaalsContact O-CG 3.24Å; M723-D727 PolarHBondContact O-N 3.33Å; E724-D727 PolarHBondContact O-N 2.74Å; M725-D727 VanDerWaalsContact C-N 3.34Å; D727-T729 PolarHBondContact O-N 2.82Å; D727-R730 WeakPolarHBondContact O-CA 3.5Å; D727-R730 WeakPolarHBondContact O-CB 3.47Å; D727-R730 PolarHBondContact O-N 2.77Å; D727-R730 IonicContact OD1-CZ 3.19Å; D727-R730 IonicContact OD1-NE 3.03Å; D727-R730 IonicContact OD1-NH2 2.87Å; D727-R730 PolarHBondContact OD1-NH2 3.37Å; D727-G731 PolarHBondContact O-N 3.17Å; D727-K732 CarbonylContact C-O 3.47Å; D727-K732 HydrophobicContact CB-CB 4.4Å; D727-K732 PolarHBondContact O-N 3.44Å
728	F	80.1	Confident	76.7	Confident	19 Å²	19	31.1 Å²	31.1	8%	0.083	16%	0.159	C	C	.	.	H	α-helix	trans	-56	-37.7	175.8	178.9	-97	0	0	0	112.4	A668 R669 M672 E724 M725 T726 R730 G731 K732 L735 V741	A668-F728 HydrophobicContact CB-CE2 4.48Å; A668-F728 HydrophobicContact CB-CZ 3.97Å; R669-F728 HydrophobicContact CB-CE2 4.43Å; M672-F728 HydrophobicContact CG-CE1 4.24Å; E724-F728 PolarHBondContact O-N 2.89Å; E724-F728 VanDerWaalsContact O-N 3.09Å; M725-F728 WeakPolarHBondContact O-CB 3.39Å; M725-F728 PolarHBondContact O-N 2.75Å; T726-F728 VanDerWaalsContact C-N 3.35Å; T726-F728 PolarHBondContact O-N 2.86Å; F728-R730 PolarHBondContact O-N 3.27Å; F728-R730 VanDerWaalsContact O-N 3.15Å; F728-G731 PolarHBondContact O-N 3.24Å; F728-K732 WeakPolarHBondContact CA-O 3.49Å; F728-K732 PolarHBondContact N-O 2.91Å; F728-L735 HydrophobicContact CB-CB 4.14Å; F728-L735 HydrophobicContact CB-CD1 4.16Å; F728-L735 HydrophobicContact CD2-CB 3.89Å; F728-L735 VanDerWaalsContact CD2-O 3.3Å; F728-L735 WeakPolarHBondContact CD2-O 3.43Å; F728-L735 HydrophobicContact CG-CB 4.28Å; F728-V741 HydrophobicContact CB-CG2 4.2Å; F728-V741 HydrophobicContact CD1-CG2 3.33Å; F728-V741 HydrophobicContact CD2-CG2 3.96Å; F728-V741 HydrophobicContact CE1-CG2 3.57Å; F728-V741 HydrophobicContact CE2-CG2 4.16Å; F728-V741 HydrophobicContact CG-CG2 3.53Å; F728-V741 HydrophobicContact CZ-CG2 3.97Å
729	T	78.5	Confident	76.3	Confident	47 Å²	47	31.4 Å²	31.4	29%	0.288	16%	0.164	S	C	.	.	H	α-helix	trans	-65.7	-16.8	178.2	70.1	0	0	0	0	113.8	M672 M725 T726 D727	M672-T729 VanDerWaalsContact CE-O 3.32Å; M672-T729 WeakPolarHBondContact CE-O 3.15Å; M725-T729 PolarHBondContact O-N 3.47Å; T726-T729 PolarHBondContact O-N 2.89Å; T726-T729 VanDerWaalsContact O-N 3.14Å; T726-T729 PolarHBondContact O-OG1 2.81Å; D727-T729 PolarHBondContact O-N 2.82Å
730	R	74.1	Confident	76.1	Confident	66 Å²	66	31 Å²	31	25%	0.249	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	3.3	176	-55.9	-175.8	-66.6	175.6	2	112.2	I683 V687 D727 F728 K732	I683-R730 HydrophobicContact CG2-CG 4.24Å; V687-R730 HydrophobicContact CG2-CG 4.34Å; D727-R730 WeakPolarHBondContact O-CA 3.5Å; D727-R730 WeakPolarHBondContact O-CB 3.47Å; D727-R730 PolarHBondContact O-N 2.77Å; D727-R730 IonicContact OD1-CZ 3.19Å; D727-R730 IonicContact OD1-NE 3.03Å; D727-R730 IonicContact OD1-NH2 2.87Å; D727-R730 PolarHBondContact OD1-NH2 3.37Å; F728-R730 PolarHBondContact O-N 3.27Å; F728-R730 VanDerWaalsContact O-N 3.15Å; R730-K732 VanDerWaalsContact C-N 3.31Å; R730-K732 HydrophobicContact CB-CG 4.46Å
731	G	66.3	Low	76.3	Confident	12 Å²	12	30 Å²	30	12%	0.124	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	21	-172.4	0	0	0	0	0	113.8	R669 D727 F728	R669-G731 WeakPolarHBondContact CD-O 2.84Å; R669-G731 VanDerWaalsContact CG-C 3.48Å; R669-G731 WeakPolarHBondContact CG-O 3.43Å; R669-G731 WeakPolarHBondContact O-CA 3.45Å; D727-G731 PolarHBondContact O-N 3.17Å; F728-G731 PolarHBondContact O-N 3.24Å
732	K	65.7	Low	76.2	Confident	60 Å²	60	34 Å²	34	26%	0.261	18%	0.178	S	C	.	.			trans	-117.8	173.6	-176.1	-64.9	-168	-177.5	-173	0	111.6	D646 Y647 D727 F728 R730	D646-K732 IonicContact OD1-NZ 3.75Å; D646-K732 PolarHBondContact OD1-NZ 3.46Å; Y647-K732 WeakPolarHBondContact O-CB 3.49Å; D727-K732 CarbonylContact C-O 3.47Å; D727-K732 HydrophobicContact CB-CB 4.4Å; D727-K732 PolarHBondContact O-N 3.44Å; F728-K732 WeakPolarHBondContact CA-O 3.49Å; F728-K732 PolarHBondContact N-O 2.91Å; R730-K732 VanDerWaalsContact C-N 3.31Å; R730-K732 HydrophobicContact CB-CG 4.46Å
733	G	63.2	Low	76	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.01	17%	0.172	C	C	.	.	S	Bend	trans	80.3	-169.1	169.4	0	0	0	0	0	114.4	Y647 R669	Y647-G733 PolarHBondContact O-N 2.86Å; R669-G733 PolarHBondContact NH1-O 3.41Å; R669-G733 VanDerWaalsContact NH1-O 3.12Å; R669-G733 PolarHBondContact NH2-O 3.48Å
734	P	68.8	Low	76.1	Confident	10 Å²	10	31.6 Å²	31.6	7%	0.065	17%	0.167	C	C	.	.	S	Bend	trans	-82.5	-24.2	-165.5	29.2	-35.7	0	0	0	115.2	V649 S651 S654 R669 E724 K736	V649-P734 WeakPolarHBondContact O-CA 3.28Å; V649-P734 VanDerWaalsContact O-CB 3.26Å; V649-P734 WeakPolarHBondContact O-CB 3.36Å; S651-P734 VanDerWaalsContact N-CB 3.33Å; S654-P734 VanDerWaalsContact CB-O 3.31Å; S654-P734 WeakPolarHBondContact CB-O 3.39Å; S654-P734 PolarHBondContact OG-O 2.98Å; R669-P734 PolarHBondContact NH2-O 3.4Å; E724-P734 HydrophobicContact CB-CG 3.92Å; E724-P734 HydrophobicContact CG-CG 3.61Å; P734-K736 PolarHBondContact O-N 3.36Å
735	L	73.6	Confident	76.3	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.18	C	C	.	.			trans	-74.3	126.2	-175.9	-49.6	179.5	0	0	0	109.2	T653 R669 E724 M725 F728 D740 V741 A744	T653-L735 HydrophobicContact CG2-CD2 3.61Å; R669-L735 VanDerWaalsContact CZ-O 3.3Å; R669-L735 PolarHBondContact NE-O 3.22Å; R669-L735 PolarHBondContact NH2-O 3.37Å; E724-L735 HydrophobicContact CB-CD1 4.21Å; E724-L735 HydrophobicContact CB-CG 4.21Å; E724-L735 WeakPolarHBondContact O-CD1 3.39Å; M725-L735 HydrophobicContact CB-CD1 4.4Å; M725-L735 HydrophobicContact CG-CD1 3.9Å; F728-L735 HydrophobicContact CB-CB 4.14Å; F728-L735 HydrophobicContact CB-CD1 4.16Å; F728-L735 HydrophobicContact CD2-CB 3.89Å; F728-L735 VanDerWaalsContact CD2-O 3.3Å; F728-L735 WeakPolarHBondContact CD2-O 3.43Å; F728-L735 HydrophobicContact CG-CB 4.28Å; L735-D740 HydrophobicContact CB-CB 3.85Å; L735-D740 HydrophobicContact CD2-CB 3.95Å; L735-D740 HydrophobicContact CG-CB 4.46Å; L735-V741 HydrophobicContact CB-CG2 4.36Å; L735-V741 HydrophobicContact CD1-CG2 3.98Å; L735-A744 HydrophobicContact CD1-CB 4.12Å; L735-A744 HydrophobicContact CD2-CB 4.28Å
736	K	73.5	Confident	76.3	Confident	83 Å²	83	36 Å²	36	36%	0.361	19%	0.192	S	C	.	.			trans	-95.8	-38.1	-172.9	-64.3	175.8	-174.1	175.6	0	112.7	S654 D660 R669 P734 D740	S654-K736 WeakPolarHBondContact OG-CD 3.4Å; S654-K736 WeakPolarHBondContact OG-CE 3.43Å; S654-K736 WeakPolarHBondContact OG-CG 2.99Å; D660-K736 WeakPolarHBondContact OD1-CB 3.41Å; R669-K736 PolarHBondContact N-O 3.03Å; P734-K736 PolarHBondContact O-N 3.36Å; K736-D740 WeakPolarHBondContact CB-OD2 3.32Å; K736-D740 PolarHBondContact N-OD2 2.96Å
737	N	75.8	Confident	76.4	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.011	20%	0.201	C	C	.	.	S	Bend	trans	-137.1	172.3	-171.5	59.9	54	0	0	0	111.6	T657 S739 D740 V741	T657-N737 WeakPolarHBondContact CB-ND2 3.22Å; T657-N737 PolarHBondContact OG1-ND2 2.93Å; N737-S739 PolarHBondContact O-N 3.29Å; N737-S739 VanDerWaalsContact OD1-CA 3.29Å; N737-S739 WeakPolarHBondContact OD1-CA 3.26Å; N737-S739 WeakPolarHBondContact OD1-CB 3.26Å; N737-S739 PolarHBondContact OD1-N 2.74Å; N737-D740 WeakPolarHBondContact O-CB 3.29Å; N737-D740 PolarHBondContact O-N 3.08Å; N737-D740 VanDerWaalsContact O-N 3.17Å; N737-D740 PolarHBondContact OD1-N 3.35Å; N737-V741 PolarHBondContact O-N 3.13Å
738	T	77.5	Confident	77	Confident	73 Å²	73	39 Å²	39	45%	0.448	20%	0.204	S	C	.	.	H	α-helix	trans	-61.1	-26.9	178.6	-46.7	0	0	0	0	112.5	V741 I742	T738-V741 PolarHBondContact O-N 3.07Å; T738-I742 HydrophobicContact CG2-CD1 4.23Å; T738-I742 WeakPolarHBondContact O-CD1 3.44Å; T738-I742 VanDerWaalsContact O-CG1 3.24Å; T738-I742 WeakPolarHBondContact O-CG1 3.45Å; T738-I742 PolarHBondContact O-N 3.38Å
739	S	76.9	Confident	77.2	Confident	39 Å²	39	41.2 Å²	41.2	27%	0.273	23%	0.226	S	C	.	.	H	α-helix	trans	-67.2	-41.4	176.1	-158.5	0	0	0	0	111.8	N737 V741 I742 N743	N737-S739 PolarHBondContact O-N 3.29Å; N737-S739 VanDerWaalsContact OD1-CA 3.29Å; N737-S739 WeakPolarHBondContact OD1-CA 3.26Å; N737-S739 WeakPolarHBondContact OD1-CB 3.26Å; N737-S739 PolarHBondContact OD1-N 2.74Å; S739-V741 VanDerWaalsContact C-N 3.33Å; S739-V741 PolarHBondContact O-N 2.91Å; S739-I742 PolarHBondContact O-N 2.87Å; S739-N743 WeakPolarHBondContact O-CB 3.49Å; S739-N743 VanDerWaalsContact O-CG 3.31Å; S739-N743 PolarHBondContact O-N 3.45Å; S739-N743 PolarHBondContact O-ND2 3.24Å
740	D	80	Confident	77.5	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-60.3	-42.5	173.7	-72.1	-12.8	0	0	0	111.4	S654 T657 L735 K736 N737 I742 N743 A744	S654-D740 VanDerWaalsContact CB-OD2 3.31Å; S654-D740 WeakPolarHBondContact CB-OD2 3.39Å; S654-D740 PolarHBondContact OG-OD2 3.4Å; T657-D740 PolarHBondContact OG1-OD1 3Å; L735-D740 HydrophobicContact CB-CB 3.85Å; L735-D740 HydrophobicContact CD2-CB 3.95Å; L735-D740 HydrophobicContact CG-CB 4.46Å; K736-D740 WeakPolarHBondContact CB-OD2 3.32Å; K736-D740 PolarHBondContact N-OD2 2.96Å; N737-D740 WeakPolarHBondContact O-CB 3.29Å; N737-D740 PolarHBondContact O-N 3.08Å; N737-D740 VanDerWaalsContact O-N 3.17Å; N737-D740 PolarHBondContact OD1-N 3.35Å; D740-I742 VanDerWaalsContact C-N 3.35Å; D740-I742 PolarHBondContact O-N 3.44Å; D740-N743 PolarHBondContact O-N 3.29Å; D740-A744 VanDerWaalsContact O-CB 3.29Å; D740-A744 WeakPolarHBondContact O-CB 3.43Å; D740-A744 PolarHBondContact O-N 3.18Å
741	V	82.5	Confident	78	Confident	30 Å²	30	41.3 Å²	41.3	18%	0.182	23%	0.226	C	C	.	.	H	α-helix	trans	-63.9	-40.3	175.5	-178	0	0	0	0	111.5	M725 F728 L735 N737 T738 S739 A744 A745	M725-V741 HydrophobicContact CE-CG1 3.82Å; M725-V741 HydrophobicContact CG-CG1 4.47Å; F728-V741 HydrophobicContact CB-CG2 4.2Å; F728-V741 HydrophobicContact CD1-CG2 3.33Å; F728-V741 HydrophobicContact CD2-CG2 3.96Å; F728-V741 HydrophobicContact CE1-CG2 3.57Å; F728-V741 HydrophobicContact CE2-CG2 4.16Å; F728-V741 HydrophobicContact CG-CG2 3.53Å; F728-V741 HydrophobicContact CZ-CG2 3.97Å; L735-V741 HydrophobicContact CB-CG2 4.36Å; L735-V741 HydrophobicContact CD1-CG2 3.98Å; N737-V741 PolarHBondContact O-N 3.13Å; T738-V741 PolarHBondContact O-N 3.07Å; S739-V741 VanDerWaalsContact C-N 3.33Å; S739-V741 PolarHBondContact O-N 2.91Å; V741-A744 WeakPolarHBondContact O-CB 3.41Å; V741-A744 PolarHBondContact O-N 3.42Å; V741-A745 WeakPolarHBondContact O-CB 3.38Å; V741-A745 PolarHBondContact O-N 2.88Å
742	I	79.7	Confident	79	Confident	86 Å²	86	42 Å²	42	44%	0.441	23%	0.233	S	C	.	.	H	α-helix	trans	-65.5	-42.4	175.8	-69.8	163.6	0	0	0	110.5	T738 S739 D740 A745 K746	T738-I742 HydrophobicContact CG2-CD1 4.23Å; T738-I742 WeakPolarHBondContact O-CD1 3.44Å; T738-I742 VanDerWaalsContact O-CG1 3.24Å; T738-I742 WeakPolarHBondContact O-CG1 3.45Å; T738-I742 PolarHBondContact O-N 3.38Å; S739-I742 PolarHBondContact O-N 2.87Å; D740-I742 VanDerWaalsContact C-N 3.35Å; D740-I742 PolarHBondContact O-N 3.44Å; I742-A745 WeakPolarHBondContact O-CB 3.26Å; I742-A745 PolarHBondContact O-N 3.23Å; I742-K746 WeakPolarHBondContact O-CG 3.28Å; I742-K746 PolarHBondContact O-N 3.14Å
743	N	81.4	Confident	80	Confident	39 Å²	39	42 Å²	42	21%	0.209	24%	0.24	C	C	.	.	H	α-helix	trans	-68.7	-37.4	178.1	-70.9	-27.2	0	0	0	112	S739 D740 A745 K746 K747	S739-N743 WeakPolarHBondContact O-CB 3.49Å; S739-N743 VanDerWaalsContact O-CG 3.31Å; S739-N743 PolarHBondContact O-N 3.45Å; S739-N743 PolarHBondContact O-ND2 3.24Å; D740-N743 PolarHBondContact O-N 3.29Å; N743-A745 VanDerWaalsContact C-N 3.33Å; N743-K746 PolarHBondContact O-N 3.03Å; N743-K746 PolarHBondContact OD1-NZ 3.09Å; N743-K747 WeakPolarHBondContact O-CG 3.27Å; N743-K747 PolarHBondContact O-N 2.9Å
744	A	81.9	Confident	81.1	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-56	-49.2	169.1	0	0	0	0	0	110.6	T653 I721 M725 L735 D740 V741 K746 K747 I748	T653-A744 HydrophobicContact CG2-CB 3.68Å; I721-A744 HydrophobicContact CG2-CB 3.57Å; I721-A744 WeakPolarHBondContact CG2-O 3.47Å; M725-A744 HydrophobicContact CG-CB 3.72Å; M725-A744 HydrophobicContact SD-CB 3.92Å; L735-A744 HydrophobicContact CD1-CB 4.12Å; L735-A744 HydrophobicContact CD2-CB 4.28Å; D740-A744 VanDerWaalsContact O-CB 3.29Å; D740-A744 WeakPolarHBondContact O-CB 3.43Å; D740-A744 PolarHBondContact O-N 3.18Å; V741-A744 WeakPolarHBondContact O-CB 3.41Å; V741-A744 PolarHBondContact O-N 3.42Å; A744-K746 VanDerWaalsContact C-N 3.33Å; A744-K746 PolarHBondContact O-N 3.19Å; A744-K747 PolarHBondContact O-N 3.44Å; A744-I748 WeakPolarHBondContact O-CG1 3.44Å; A744-I748 PolarHBondContact O-N 3.49Å
745	A	84.6	Confident	82	Confident	42 Å²	42	48.9 Å²	48.9	35%	0.347	27%	0.267	S	S	.	.	H	α-helix	trans	-62.3	-38.3	177.5	0	0	0	0	0	112.6	M725 V741 I742 N743 I748 A749	M725-A745 HydrophobicContact CE-CB 4.05Å; M725-A745 HydrophobicContact SD-CB 4.46Å; V741-A745 WeakPolarHBondContact O-CB 3.38Å; V741-A745 PolarHBondContact O-N 2.88Å; I742-A745 WeakPolarHBondContact O-CB 3.26Å; I742-A745 PolarHBondContact O-N 3.23Å; N743-A745 VanDerWaalsContact C-N 3.33Å; A745-I748 PolarHBondContact O-N 3.29Å; A745-A749 PolarHBondContact O-N 3.49Å
746	K	83.8	Confident	82.6	Confident	113 Å²	113	52 Å²	52	49%	0.491	28%	0.284	S	S	.	.	H	α-helix	trans	-62.9	-44	173.9	-72.7	174	-174.5	166.9	0	111.9	I742 N743 A744 I748 A749 E750	I742-K746 WeakPolarHBondContact O-CG 3.28Å; I742-K746 PolarHBondContact O-N 3.14Å; N743-K746 PolarHBondContact O-N 3.03Å; N743-K746 PolarHBondContact OD1-NZ 3.09Å; A744-K746 VanDerWaalsContact C-N 3.33Å; A744-K746 PolarHBondContact O-N 3.19Å; K746-I748 VanDerWaalsContact C-N 3.34Å; K746-I748 PolarHBondContact O-N 2.92Å; K746-A749 CarbonylContact O-C 3.47Å; K746-A749 WeakPolarHBondContact O-CA 3.36Å; K746-A749 WeakPolarHBondContact O-CB 3.49Å; K746-A749 PolarHBondContact O-N 2.88Å; K746-A749 VanDerWaalsContact O-N 3.1Å; K746-E750 WeakPolarHBondContact O-CG 3.36Å; K746-E750 PolarHBondContact O-N 3.35Å
747	K	84.1	Confident	83.2	Confident	71 Å²	71	54.6 Å²	54.6	31%	0.309	30%	0.295	S	S	.	.	H	α-helix	trans	-62.6	-39.6	176.3	-71.7	-177.7	-175	-177.5	0	112.1	R652 T653 I721 N743 A744 A749 E750 A751	R652-K747 PolarHBondContact O-NZ 2.91Å; T653-K747 HydrophobicContact CG2-CD 4.35Å; I721-K747 HydrophobicContact CD1-CB 3.82Å; N743-K747 WeakPolarHBondContact O-CG 3.27Å; N743-K747 PolarHBondContact O-N 2.9Å; A744-K747 PolarHBondContact O-N 3.44Å; K747-A749 VanDerWaalsContact C-N 3.32Å; K747-E750 PolarHBondContact O-N 3.5Å; K747-A751 WeakPolarHBondContact O-CB 3.29Å; K747-A751 PolarHBondContact O-N 2.94Å
748	I	84.8	Confident	83.7	Confident	24 Å²	24	57 Å²	57	12%	0.123	31%	0.308	C	S	.	.	H	α-helix	trans	-59.9	-45.1	171.8	-68	170.2	0	0	0	110.1	M718 I721 M722 M725 A744 A745 K746 E750 A751 G752	M718-I748 HydrophobicContact CE-CG2 3.59Å; M718-I748 HydrophobicContact CG-CG2 4.31Å; I721-I748 HydrophobicContact CB-CD1 3.99Å; I721-I748 HydrophobicContact CB-CG1 3.74Å; I721-I748 HydrophobicContact CD1-CG1 4.18Å; I721-I748 HydrophobicContact CG2-CD1 3.7Å; I721-I748 HydrophobicContact CG2-CG1 3.63Å; M722-I748 HydrophobicContact CE-CD1 4.46Å; M722-I748 HydrophobicContact CE-CG2 3.96Å; M722-I748 HydrophobicContact CG-CD1 3.64Å; M725-I748 HydrophobicContact SD-CD1 3.59Å; M725-I748 VanDerWaalsContact SD-CD1 3.59Å; A744-I748 WeakPolarHBondContact O-CG1 3.44Å; A744-I748 PolarHBondContact O-N 3.49Å; A745-I748 PolarHBondContact O-N 3.29Å; K746-I748 VanDerWaalsContact C-N 3.34Å; K746-I748 PolarHBondContact O-N 2.92Å; I748-E750 PolarHBondContact O-N 2.86Å; I748-A751 PolarHBondContact O-N 3.15Å; I748-G752 PolarHBondContact O-N 3.37Å
749	A	83.6	Confident	83.9	Confident	66 Å²	66	55.9 Å²	55.9	55%	0.545	31%	0.306	S	S	.	.	H	α-helix	trans	-64.1	-39.8	178.3	0	0	0	0	0	112.6	A745 K746 K747 G752 S753	A745-A749 PolarHBondContact O-N 3.49Å; K746-A749 CarbonylContact O-C 3.47Å; K746-A749 WeakPolarHBondContact O-CA 3.36Å; K746-A749 WeakPolarHBondContact O-CB 3.49Å; K746-A749 PolarHBondContact O-N 2.88Å; K746-A749 VanDerWaalsContact O-N 3.1Å; K747-A749 VanDerWaalsContact C-N 3.32Å; A749-G752 PolarHBondContact O-N 3.4Å; A749-S753 PolarHBondContact O-N 2.97Å
750	E	85.9	Confident	84.2	Confident	116 Å²	116	61 Å²	61	54%	0.542	32%	0.319	S	S	.	.	H	α-helix	trans	-64.5	-41.5	174.5	-73.2	170.8	-173.3	0	0	112.3	K746 K747 I748 S753 R754	K746-E750 WeakPolarHBondContact O-CG 3.36Å; K746-E750 PolarHBondContact O-N 3.35Å; K747-E750 PolarHBondContact O-N 3.5Å; I748-E750 PolarHBondContact O-N 2.86Å; E750-S753 PolarHBondContact O-N 3.31Å; E750-R754 PolarHBondContact O-N 3.29Å; E750-R754 VanDerWaalsContact O-N 3.1Å
751	A	83.8	Confident	84.3	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-62.5	-43.9	172.5	0	0	0	0	0	111.3	L714 M718 K747 I748 S753 R754 M755	L714-A751 HydrophobicContact CD2-CB 4Å; M718-A751 HydrophobicContact CG-CB 3.49Å; M718-A751 VanDerWaalsContact CG-CB 3.49Å; M718-A751 HydrophobicContact SD-CB 3.86Å; K747-A751 WeakPolarHBondContact O-CB 3.29Å; K747-A751 PolarHBondContact O-N 2.94Å; I748-A751 PolarHBondContact O-N 3.15Å; A751-S753 VanDerWaalsContact C-N 3.32Å; A751-S753 PolarHBondContact O-N 2.89Å; A751-R754 WeakPolarHBondContact O-CB 3.47Å; A751-R754 PolarHBondContact O-N 3.27Å; A751-R754 VanDerWaalsContact O-N 3.13Å; A751-M755 PolarHBondContact O-N 2.91Å
752	G	87.2	Confident	84	Confident	26 Å²	26	66.2 Å²	66.2	27%	0.268	36%	0.357	S	S	.	.	H	α-helix	trans	-59.5	-39	174.1	0	0	0	0	0	113.2	I748 A749 M755 D756	I748-G752 PolarHBondContact O-N 3.37Å; A749-G752 PolarHBondContact O-N 3.4Å; G752-M755 PolarHBondContact O-N 3.01Å; G752-D756 WeakPolarHBondContact O-CB 3.43Å; G752-D756 PolarHBondContact O-N 3.21Å
753	S	87.6	Confident	83.8	Confident	59 Å²	59	64.7 Å²	64.7	41%	0.413	36%	0.356	S	S	.	.	H	α-helix	trans	-66.5	-36.1	175	-176.3	0	0	0	0	112.7	A749 E750 A751 K757	A749-S753 PolarHBondContact O-N 2.97Å; E750-S753 PolarHBondContact O-N 3.31Å; A751-S753 VanDerWaalsContact C-N 3.32Å; A751-S753 PolarHBondContact O-N 2.89Å; S753-K757 WeakPolarHBondContact O-CG 3.41Å; S753-K757 PolarHBondContact O-N 3.11Å
754	R	85.5	Confident	83.5	Confident	111 Å²	111	69.7 Å²	69.7	42%	0.419	38%	0.383	S	S	.	.	H	α-helix	trans	-67.2	-42.3	173	-72.7	-178.1	-81.3	155.2	1.5	111.3	L714 E750 A751 D756 K757 L758	L714-R754 HydrophobicContact CD1-CB 3.71Å; L714-R754 HydrophobicContact CD2-CB 4.2Å; E750-R754 PolarHBondContact O-N 3.29Å; E750-R754 VanDerWaalsContact O-N 3.1Å; A751-R754 WeakPolarHBondContact O-CB 3.47Å; A751-R754 PolarHBondContact O-N 3.27Å; A751-R754 VanDerWaalsContact O-N 3.13Å; R754-D756 VanDerWaalsContact C-N 3.33Å; R754-D756 PolarHBondContact O-N 2.99Å; R754-K757 WeakPolarHBondContact O-CB 3.42Å; R754-K757 PolarHBondContact O-N 3.31Å; R754-L758 PolarHBondContact O-N 3Å
755	M	89.2	Confident	83	Confident	45 Å²	45	77.5 Å²	77.5	22%	0.222	42%	0.42	C	S	.	.	H	α-helix	trans	-61.2	-41.6	177.6	-170.5	179	-70	0	0	111.9	I711 L714 A715 M718 A751 G752 L758 A759	I711-M755 HydrophobicContact CG1-CG 4.45Å; I711-M755 HydrophobicContact CG2-CE 4.35Å; I711-M755 HydrophobicContact CG2-CG 4Å; I711-M755 HydrophobicContact CG2-SD 4.22Å; L714-M755 HydrophobicContact CB-CE 3.71Å; L714-M755 HydrophobicContact CD1-CB 4.03Å; A715-M755 HydrophobicContact CB-CE 4.02Å; M718-M755 HydrophobicContact SD-CE 3.92Å; A751-M755 PolarHBondContact O-N 2.91Å; G752-M755 PolarHBondContact O-N 3.01Å; M755-L758 PolarHBondContact O-N 3.45Å; M755-A759 WeakPolarHBondContact O-CB 3.31Å; M755-A759 PolarHBondContact O-N 3.03Å
756	D	85.7	Confident	82.1	Confident	67 Å²	67	80.1 Å²	80.1	36%	0.358	43%	0.427	S	S	.	.	H	α-helix	trans	-63.4	-39.7	175.4	168.4	56.8	0	0	0	112.6	G752 R754 L758 A759 R760	G752-D756 WeakPolarHBondContact O-CB 3.43Å; G752-D756 PolarHBondContact O-N 3.21Å; R754-D756 VanDerWaalsContact C-N 3.33Å; R754-D756 PolarHBondContact O-N 2.99Å; D756-L758 VanDerWaalsContact C-N 3.34Å; D756-L758 PolarHBondContact O-N 3.17Å; D756-A759 PolarHBondContact O-N 2.94Å; D756-R760 VanDerWaalsContact O-CG 3.32Å; D756-R760 WeakPolarHBondContact O-CG 3.46Å; D756-R760 PolarHBondContact O-N 3.06Å; D756-R760 IonicContact OD1-CZ 3.99Å; D756-R760 IonicContact OD1-NE 3.08Å; D756-R760 PolarHBondContact OD1-NE 3.27Å; D756-R760 VanDerWaalsContact OD1-NE 3.1Å; D756-R760 IonicContact OD1-NH2 3.07Å; D756-R760 IonicContact OD2-CZ 2.67Å; D756-R760 IonicContact OD2-NE 2.69Å; D756-R760 PolarHBondContact OD2-NE 2.99Å; D756-R760 IonicContact OD2-NH2 3.37Å; D756-R760 PolarHBondContact OD2-NH2 3.08Å
757	K	86.8	Confident	80.8	Confident	137 Å²	137	82.9 Å²	82.9	60%	0.596	45%	0.448	S	S	*	.	H	α-helix	trans	-60.5	-42.7	174.2	-71.4	175.3	-176.8	177.6	0	112.3	S753 R754 R760 A761	S753-K757 WeakPolarHBondContact O-CG 3.41Å; S753-K757 PolarHBondContact O-N 3.11Å; R754-K757 WeakPolarHBondContact O-CB 3.42Å; R754-K757 PolarHBondContact O-N 3.31Å; K757-R760 PolarHBondContact O-N 2.93Å; K757-A761 PolarHBondContact O-N 3.31Å
758	L	85.1	Confident	79.8	Confident	53 Å²	53	82.2 Å²	82.2	28%	0.277	45%	0.452	S	S	.	.	H	α-helix	trans	-66.1	-45.8	177.6	-65.9	163.6	0	0	0	111.2	D710 I711 L714 R754 M755 D756 R760 A761 V762	D710-L758 HydrophobicContact CB-CD1 3.37Å; D710-L758 HydrophobicContact CB-CD2 4.2Å; D710-L758 HydrophobicContact CB-CG 4.42Å; I711-L758 HydrophobicContact CD1-CB 4.16Å; I711-L758 HydrophobicContact CG1-CB 3.84Å; I711-L758 HydrophobicContact CG1-CD1 3.98Å; L714-L758 HydrophobicContact CD1-CD1 3.74Å; R754-L758 PolarHBondContact O-N 3Å; M755-L758 PolarHBondContact O-N 3.45Å; D756-L758 VanDerWaalsContact C-N 3.34Å; D756-L758 PolarHBondContact O-N 3.17Å; L758-R760 VanDerWaalsContact C-N 3.27Å; L758-R760 PolarHBondContact O-N 3.26Å; L758-A761 WeakPolarHBondContact O-CB 3.38Å; L758-A761 PolarHBondContact O-N 3.46Å; L758-A761 VanDerWaalsContact O-N 3.13Å; L758-V762 WeakPolarHBondContact O-CG2 3.35Å; L758-V762 PolarHBondContact O-N 3.45Å
759	A	82.8	Confident	78.8	Confident	48 Å²	48	85.1 Å²	85.1	40%	0.397	48%	0.48	S	S	.	.	H	α-helix	trans	-59.4	-37.3	177.9	0	0	0	0	0	112.5	M755 D756 V762 A763	M755-A759 WeakPolarHBondContact O-CB 3.31Å; M755-A759 PolarHBondContact O-N 3.03Å; D756-A759 PolarHBondContact O-N 2.94Å; A759-V762 PolarHBondContact O-N 3.36Å; A759-A763 PolarHBondContact O-N 3.41Å
760	R	83	Confident	77.7	Confident	146 Å²	146	87.6 Å²	87.6	55%	0.551	49%	0.488	S	S	*	.	H	α-helix	trans	-66.5	-42.5	174.2	-69.4	176.7	-157.1	177.4	-1.8	112.7	D756 K757 L758 V762 A763 D764	D756-R760 VanDerWaalsContact O-CG 3.32Å; D756-R760 WeakPolarHBondContact O-CG 3.46Å; D756-R760 PolarHBondContact O-N 3.06Å; D756-R760 IonicContact OD1-CZ 3.99Å; D756-R760 IonicContact OD1-NE 3.08Å; D756-R760 PolarHBondContact OD1-NE 3.27Å; D756-R760 VanDerWaalsContact OD1-NE 3.1Å; D756-R760 IonicContact OD1-NH2 3.07Å; D756-R760 IonicContact OD2-CZ 2.67Å; D756-R760 IonicContact OD2-NE 2.69Å; D756-R760 PolarHBondContact OD2-NE 2.99Å; D756-R760 IonicContact OD2-NH2 3.37Å; D756-R760 PolarHBondContact OD2-NH2 3.08Å; K757-R760 PolarHBondContact O-N 2.93Å; L758-R760 VanDerWaalsContact C-N 3.27Å; L758-R760 PolarHBondContact O-N 3.26Å; R760-V762 PolarHBondContact O-N 3.32Å; R760-A763 WeakPolarHBondContact O-CB 3.34Å; R760-A763 PolarHBondContact O-N 3.27Å; R760-A763 VanDerWaalsContact O-N 3.08Å; R760-D764 PolarHBondContact O-N 3.22Å
761	A	81.2	Confident	76.6	Confident	54 Å²	54	84.4 Å²	84.4	45%	0.446	48%	0.479	S	S	.	.	H	α-helix	trans	-61.3	-35.4	176.2	0	0	0	0	0	112.1	K757 L758	K757-A761 PolarHBondContact O-N 3.31Å; L758-A761 WeakPolarHBondContact O-CB 3.38Å; L758-A761 PolarHBondContact O-N 3.46Å; L758-A761 VanDerWaalsContact O-N 3.13Å
762	V	76.8	Confident	75.9	Confident	88 Å²	88	89.7 Å²	89.7	53%	0.533	51%	0.506	S	S	.	.	H	α-helix	trans	-68.1	-41.8	172.2	175.3	0	0	0	0	111.2	L758 A759 R760 D764 Q765	L758-V762 WeakPolarHBondContact O-CG2 3.35Å; L758-V762 PolarHBondContact O-N 3.45Å; A759-V762 PolarHBondContact O-N 3.36Å; R760-V762 PolarHBondContact O-N 3.32Å; V762-D764 VanDerWaalsContact C-N 3.3Å; V762-D764 PolarHBondContact O-N 3.39Å; V762-Q765 PolarHBondContact O-N 3.2Å
763	A	74.1	Confident	75.2	Confident	53 Å²	53	94.9 Å²	94.9	44%	0.438	53%	0.526	S	S	.	.	H	α-helix	trans	-62.1	-35.7	179.5	0	0	0	0	0	112.9	A759 R760 Q765 L766	A759-A763 PolarHBondContact O-N 3.41Å; R760-A763 WeakPolarHBondContact O-CB 3.34Å; R760-A763 PolarHBondContact O-N 3.27Å; R760-A763 VanDerWaalsContact O-N 3.08Å; A763-Q765 PolarHBondContact O-N 3.17Å; A763-L766 HydrophobicContact CB-CD1 4.48Å; A763-L766 PolarHBondContact O-N 2.72Å
764	D	75.8	Confident	74.5	Confident	145 Å²	145	97.1 Å²	97.1	78%	0.775	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-14.6	177.9	-71.5	-22.9	0	0	0	113.6	R760 V762	R760-D764 PolarHBondContact O-N 3.22Å; V762-D764 VanDerWaalsContact C-N 3.3Å; V762-D764 PolarHBondContact O-N 3.39Å
765	Q	72.1	Confident	73.9	Confident	163 Å²	163	94 Å²	94	76%	0.762	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	5.9	-179.8	-62	-175.2	6.9	0	0	114	V762 A763 D767	V762-Q765 PolarHBondContact O-N 3.2Å; A763-Q765 PolarHBondContact O-N 3.17Å; Q765-D767 PolarHBondContact O-N 2.98Å
766	L	64.5	Low	73.2	Confident	97 Å²	97	94.4 Å²	94.4	51%	0.508	54%	0.539	S	S	.	.			trans	-79.1	98.2	-176.8	-75.7	166.7	0	0	0	112.6	A763	A763-L766 HydrophobicContact CB-CD1 4.48Å; A763-L766 PolarHBondContact O-N 2.72Å
767	D	58	Low	72.8	Confident	172 Å²	172	97.4 Å²	97.4	92%	0.92	55%	0.549	S	S	*	.			trans	-103.8	13.3	-177.3	-94.4	-11.1	0	0	0	115.9	Q765	Q765-D767 PolarHBondContact O-N 2.98Å
768	S	62.8	Low	72.4	Confident	57 Å²	57	95.2 Å²	95.2	40%	0.399	54%	0.544	S	S	.	.			trans	-122.2	132.9	-175.4	-180	0	0	0	0	114.7	T770 S771	S768-T770 PolarHBondContact O-N 3.16Å; S768-T770 PolarHBondContact OG-OG1 3.5Å; S768-S771 PolarHBondContact O-OG 3.05Å
769	A	62.4	Low	72	Confident	85 Å²	85	98.1 Å²	98.1	70%	0.702	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-24.4	-179	0	0	0	0	0	114.3	L772	A769-L772 WeakPolarHBondContact O-CB 3.35Å
770	T	60.6	Low	71.8	Confident	118 Å²	118	101.5 Å²	101.5	72%	0.724	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-32	-176.7	49.5	0	0	0	0	113.2	S768 L772	S768-T770 PolarHBondContact O-N 3.16Å; S768-T770 PolarHBondContact OG-OG1 3.5Å; T770-L772 PolarHBondContact O-N 3.21Å
771	S	63.8	Low	71.7	Confident	49 Å²	49	98.9 Å²	98.9	34%	0.343	56%	0.564	S	S	.	*	H	α-helix	trans	-67.3	-20.7	171.5	51.9	0	0	0	0	112.3	S768 I773 A775	S768-S771 PolarHBondContact O-OG 3.05Å; S771-I773 PolarHBondContact O-N 2.77Å; S771-A775 WeakPolarHBondContact O-CB 3.37Å; S771-A775 PolarHBondContact O-N 2.91Å
772	L	69.1	Low	71.8	Confident	110 Å²	110	98.6 Å²	98.6	58%	0.576	56%	0.562	S	S	*	*	H	α-helix	trans	-65	-39.3	-175.5	-140.7	105.7	0	0	0	113.8	A769 T770 A776	A769-L772 WeakPolarHBondContact O-CB 3.35Å; T770-L772 PolarHBondContact O-N 3.21Å; L772-A776 WeakPolarHBondContact O-CB 3.3Å; L772-A776 PolarHBondContact O-N 2.98Å
773	I	71.9	Confident	71.9	Confident	136 Å²	136	97.9 Å²	97.9	70%	0.697	56%	0.558	S	S	*	*	H	α-helix	trans	-69.8	-44.2	-177.3	-62.1	176.3	0	0	0	111	S771 A776 K777	S771-I773 PolarHBondContact O-N 2.77Å; I773-A776 PolarHBondContact O-N 3.44Å; I773-K777 PolarHBondContact O-N 3.5Å; I773-K777 VanDerWaalsContact O-N 3.09Å
774	Q	73.1	Confident	72.3	Confident	106 Å²	106	98.4 Å²	98.4	50%	0.495	56%	0.556	S	S	.	*	H	α-helix	trans	-69.4	-41.3	178.1	-174.9	59.5	36.2	0	0	111.1	A776 K777 N778	Q774-A776 VanDerWaalsContact C-N 3.31Å; Q774-A776 PolarHBondContact O-N 3.32Å; Q774-K777 PolarHBondContact O-N 3.24Å; Q774-N778 PolarHBondContact NE2-OD1 3.47Å; Q774-N778 PolarHBondContact O-N 3.07Å
775	A	72.3	Confident	72.7	Confident	46 Å²	46	97 Å²	97	38%	0.38	55%	0.547	S	S	.	.	H	α-helix	trans	-58.8	-42.6	172.5	0	0	0	0	0	111.5	S771 K777 N778 L779	S771-A775 WeakPolarHBondContact O-CB 3.37Å; S771-A775 PolarHBondContact O-N 2.91Å; A775-K777 PolarHBondContact O-N 3Å; A775-N778 PolarHBondContact O-N 3.1Å; A775-L779 VanDerWaalsContact O-CB 3.25Å; A775-L779 WeakPolarHBondContact O-CB 3.35Å; A775-L779 PolarHBondContact O-N 2.91Å
776	A	75.6	Confident	73.2	Confident	53 Å²	53	93.4 Å²	93.4	44%	0.438	54%	0.537	S	S	.	.	H	α-helix	trans	-62.8	-38.7	177	0	0	0	0	0	112.7	L772 I773 Q774 M780	L772-A776 WeakPolarHBondContact O-CB 3.3Å; L772-A776 PolarHBondContact O-N 2.98Å; I773-A776 PolarHBondContact O-N 3.44Å; Q774-A776 VanDerWaalsContact C-N 3.31Å; Q774-A776 PolarHBondContact O-N 3.32Å; A776-M780 WeakPolarHBondContact O-CB 3.46Å; A776-M780 PolarHBondContact O-N 3.42Å
777	K	76.5	Confident	73.9	Confident	130 Å²	130	92.2 Å²	92.2	57%	0.565	53%	0.533	S	S	*	.	H	α-helix	trans	-66	-45.3	175.5	-174.4	-178.3	174.9	-173.1	0	111.8	I773 Q774 A775 M780 N781	I773-K777 PolarHBondContact O-N 3.5Å; I773-K777 VanDerWaalsContact O-N 3.09Å; Q774-K777 PolarHBondContact O-N 3.24Å; A775-K777 PolarHBondContact O-N 3Å; K777-M780 WeakPolarHBondContact O-CB 3.28Å; K777-M780 PolarHBondContact O-N 3.31Å; K777-N781 PolarHBondContact O-N 2.92Å; K777-N781 VanDerWaalsContact O-N 3.14Å
778	N	77.9	Confident	74.9	Confident	91 Å²	91	90.2 Å²	90.2	49%	0.487	52%	0.516	S	S	.	.	H	α-helix	trans	-63.5	-43.1	177.1	-71.7	-3.5	0	0	0	111.1	Q774 A775 M780 N781 A782	Q774-N778 PolarHBondContact NE2-OD1 3.47Å; Q774-N778 PolarHBondContact O-N 3.07Å; A775-N778 PolarHBondContact O-N 3.1Å; N778-M780 VanDerWaalsContact C-N 3.33Å; N778-M780 PolarHBondContact O-N 3.31Å; N778-N781 PolarHBondContact O-N 3.23Å; N778-A782 PolarHBondContact O-N 2.92Å
779	L	77.4	Confident	75.7	Confident	114 Å²	114	90.4 Å²	90.4	60%	0.597	52%	0.521	S	S	*	.	H	α-helix	trans	-60.9	-41.9	174.9	-176.1	63.6	0	0	0	111.5	A775 N781 A782 V783	A775-L779 VanDerWaalsContact O-CB 3.25Å; A775-L779 WeakPolarHBondContact O-CB 3.35Å; A775-L779 PolarHBondContact O-N 2.91Å; L779-N781 VanDerWaalsContact C-N 3.32Å; L779-N781 PolarHBondContact O-N 3.21Å; L779-A782 PolarHBondContact O-N 2.81Å; L779-V783 HydrophobicContact CD1-CG2 4.45Å; L779-V783 HydrophobicContact CG-CG2 4.42Å; L779-V783 VanDerWaalsContact O-CG2 3.28Å; L779-V783 WeakPolarHBondContact O-CG2 3.37Å; L779-V783 PolarHBondContact O-N 2.95Å
780	M	78.9	Confident	76.4	Confident	119 Å²	119	88.7 Å²	88.7	59%	0.586	50%	0.504	S	S	*	.	H	α-helix	trans	-59.2	-43	176.4	-167.5	66.2	64.6	0	0	111.8	A776 K777 N778 V783 V784	A776-M780 WeakPolarHBondContact O-CB 3.46Å; A776-M780 PolarHBondContact O-N 3.42Å; K777-M780 WeakPolarHBondContact O-CB 3.28Å; K777-M780 PolarHBondContact O-N 3.31Å; N778-M780 VanDerWaalsContact C-N 3.33Å; N778-M780 PolarHBondContact O-N 3.31Å; M780-V783 PolarHBondContact O-N 3.28Å; M780-V784 VanDerWaalsContact O-CG2 3.3Å; M780-V784 WeakPolarHBondContact O-CG2 3.46Å; M780-V784 PolarHBondContact O-N 2.85Å
781	N	81.7	Confident	77.1	Confident	90 Å²	90	87.3 Å²	87.3	48%	0.481	49%	0.486	S	S	.	.	H	α-helix	trans	-63.6	-44.5	176.2	-73.2	-21.7	0	0	0	111.6	K777 N778 L779 V783 V784 L785	K777-N781 PolarHBondContact O-N 2.92Å; K777-N781 VanDerWaalsContact O-N 3.14Å; N778-N781 PolarHBondContact O-N 3.23Å; L779-N781 VanDerWaalsContact C-N 3.32Å; L779-N781 PolarHBondContact O-N 3.21Å; N781-V783 PolarHBondContact O-N 3.04Å; N781-V784 PolarHBondContact O-N 3.21Å; N781-L785 WeakPolarHBondContact O-CG 3.49Å; N781-L785 PolarHBondContact O-N 3.42Å
782	A	81.9	Confident	77.5	Confident	48 Å²	48	88.4 Å²	88.4	40%	0.397	49%	0.491	S	S	.	.	H	α-helix	trans	-62	-41.7	176.8	0	0	0	0	0	112.2	N778 L779 L785 T786	N778-A782 PolarHBondContact O-N 2.92Å; L779-A782 PolarHBondContact O-N 2.81Å; A782-L785 PolarHBondContact O-N 3.47Å; A782-T786 WeakPolarHBondContact O-CB 3.39Å; A782-T786 PolarHBondContact O-N 2.97Å; A782-T786 PolarHBondContact O-OG1 3.46Å
783	V	80.1	Confident	77.4	Confident	73 Å²	73	86.2 Å²	86.2	44%	0.442	49%	0.488	S	S	.	.	H	α-helix	trans	-62.3	-45.6	175.3	170.6	0	0	0	0	110.9	L779 M780 N781 L785 T786 V787	L779-V783 HydrophobicContact CD1-CG2 4.45Å; L779-V783 HydrophobicContact CG-CG2 4.42Å; L779-V783 VanDerWaalsContact O-CG2 3.28Å; L779-V783 WeakPolarHBondContact O-CG2 3.37Å; L779-V783 PolarHBondContact O-N 2.95Å; M780-V783 PolarHBondContact O-N 3.28Å; N781-V783 PolarHBondContact O-N 3.04Å; V783-L785 PolarHBondContact O-N 3.47Å; V783-T786 PolarHBondContact O-N 2.97Å; V783-V787 WeakPolarHBondContact O-CG2 3.39Å; V783-V787 PolarHBondContact O-N 3.44Å
784	V	81.8	Confident	77.2	Confident	65 Å²	65	81.5 Å²	81.5	39%	0.394	47%	0.468	S	S	.	.	H	α-helix	trans	-61.1	-44.5	177.2	169.3	0	0	0	0	111.3	M780 N781 V787 K788	M780-V784 VanDerWaalsContact O-CG2 3.3Å; M780-V784 WeakPolarHBondContact O-CG2 3.46Å; M780-V784 PolarHBondContact O-N 2.85Å; N781-V784 PolarHBondContact O-N 3.21Å; V784-V787 PolarHBondContact O-N 3.17Å; V784-K788 HydrophobicContact CG1-CD 4.24Å; V784-K788 WeakPolarHBondContact O-CG 3.49Å; V784-K788 PolarHBondContact O-N 3.3Å
785	L	83.9	Confident	76.6	Confident	115 Å²	115	78.6 Å²	78.6	60%	0.602	46%	0.457	S	S	*	.	H	α-helix	trans	-62.9	-42.5	176.7	-72.1	173	0	0	0	111.5	N781 A782 V783 V787 K788 A789	N781-L785 WeakPolarHBondContact O-CG 3.49Å; N781-L785 PolarHBondContact O-N 3.42Å; A782-L785 PolarHBondContact O-N 3.47Å; V783-L785 PolarHBondContact O-N 3.47Å; L785-V787 PolarHBondContact O-N 3.26Å; L785-K788 PolarHBondContact O-N 2.98Å; L785-A789 WeakPolarHBondContact O-CB 3.3Å; L785-A789 PolarHBondContact O-N 3.17Å
786	T	82	Confident	75.8	Confident	87 Å²	87	83.2 Å²	83.2	53%	0.534	47%	0.469	S	S	.	.	H	α-helix	trans	-61.5	-44.4	177.7	-57.5	0	0	0	0	111.7	A782 V783 A789 S790	A782-T786 WeakPolarHBondContact O-CB 3.39Å; A782-T786 PolarHBondContact O-N 2.97Å; A782-T786 PolarHBondContact O-OG1 3.46Å; V783-T786 PolarHBondContact O-N 2.97Å; T786-A789 PolarHBondContact O-N 2.69Å; T786-S790 VanDerWaalsContact O-CB 3.27Å; T786-S790 WeakPolarHBondContact O-CB 3.41Å; T786-S790 PolarHBondContact O-N 3.24Å; T786-S790 PolarHBondContact O-OG 3.5Å
787	V	79.1	Confident	74.6	Confident	72 Å²	72	87.2 Å²	87.2	44%	0.436	47%	0.473	S	S	.	.	H	α-helix	trans	-62.6	-45.8	176.6	170.1	0	0	0	0	110.9	V783 V784 L785 S790 Y791 W813	V783-V787 WeakPolarHBondContact O-CG2 3.39Å; V783-V787 PolarHBondContact O-N 3.44Å; V784-V787 PolarHBondContact O-N 3.17Å; L785-V787 PolarHBondContact O-N 3.26Å; V787-S790 PolarHBondContact O-N 3.21Å; V787-Y791 WeakPolarHBondContact O-CB 3.48Å; V787-Y791 PolarHBondContact O-N 3.25Å; V787-W813 HydrophobicContact CG1-CH2 3.93Å; V787-W813 HydrophobicContact CG1-CZ3 3.89Å
788	K	80.8	Confident	73.4	Confident	131 Å²	131	87.2 Å²	87.2	57%	0.57	48%	0.475	S	S	*	.	H	α-helix	trans	-61.7	-47.6	177.5	-74.5	177.8	178.1	-178.9	0	111.8	V784 L785 S790 Y791 V792	V784-K788 HydrophobicContact CG1-CD 4.24Å; V784-K788 WeakPolarHBondContact O-CG 3.49Å; V784-K788 PolarHBondContact O-N 3.3Å; L785-K788 PolarHBondContact O-N 2.98Å; K788-S790 PolarHBondContact O-N 3.47Å; K788-Y791 PolarHBondContact O-N 3.34Å; K788-V792 WeakPolarHBondContact O-CG2 3.42Å; K788-V792 PolarHBondContact O-N 2.97Å
789	A	78.6	Confident	72.1	Confident	61 Å²	61	92 Å²	92	50%	0.504	49%	0.492	S	S	.	.	H	α-helix	trans	-62	-43.3	178.4	0	0	0	0	0	111.6	L785 T786 Y791 V792 A793	L785-A789 WeakPolarHBondContact O-CB 3.3Å; L785-A789 PolarHBondContact O-N 3.17Å; T786-A789 PolarHBondContact O-N 2.69Å; A789-Y791 VanDerWaalsContact C-N 3.35Å; A789-Y791 PolarHBondContact O-N 2.84Å; A789-V792 PolarHBondContact O-N 3.24Å; A789-A793 WeakPolarHBondContact O-CB 3.41Å; A789-A793 PolarHBondContact O-N 2.94Å
790	S	76.3	Confident	70.9	Confident	49 Å²	49	91.7 Å²	91.7	34%	0.343	50%	0.495	S	S	.	.	H	α-helix	trans	-63.1	-39.1	177.4	-59.3	0	0	0	0	112.5	T786 V787 K788 S794	T786-S790 VanDerWaalsContact O-CB 3.27Å; T786-S790 WeakPolarHBondContact O-CB 3.41Å; T786-S790 PolarHBondContact O-N 3.24Å; T786-S790 PolarHBondContact O-OG 3.5Å; V787-S790 PolarHBondContact O-N 3.21Å; K788-S790 PolarHBondContact O-N 3.47Å; S790-S794 VanDerWaalsContact O-CB 3.29Å; S790-S794 WeakPolarHBondContact O-CB 3.41Å; S790-S794 PolarHBondContact O-N 2.98Å; S790-S794 PolarHBondContact O-OG 2.82Å
791	Y	75.6	Confident	69.4	Low	88 Å²	88	92.9 Å²	92.9	35%	0.345	49%	0.494	S	S	.	.	H	α-helix	trans	-62.6	-46.6	173.7	175.2	-98.4	0	0	0	111.8	V787 K788 A789 S794 T795 W813	V787-Y791 WeakPolarHBondContact O-CB 3.48Å; V787-Y791 PolarHBondContact O-N 3.25Å; K788-Y791 PolarHBondContact O-N 3.34Å; A789-Y791 VanDerWaalsContact C-N 3.35Å; A789-Y791 PolarHBondContact O-N 2.84Å; Y791-S794 PolarHBondContact O-N 3.42Å; Y791-T795 HydrophobicContact CD2-CG2 4.13Å; Y791-T795 HydrophobicContact CE1-CG2 4.31Å; Y791-T795 HydrophobicContact CE2-CG2 3.77Å; Y791-T795 WeakPolarHBondContact O-CB 3.2Å; Y791-T795 VanDerWaalsContact O-CG2 3.31Å; Y791-T795 WeakPolarHBondContact O-CG2 3.03Å; Y791-T795 PolarHBondContact O-N 3.25Å; Y791-T795 PolarHBondContact O-OG1 3.22Å; Y791-W813 HydrophobicContact CD2-CB 3.75Å; Y791-W813 AromaticContact CD2-CD2 3.72Å; Y791-W813 HydrophobicContact CD2-CD2 3.72Å; Y791-W813 AromaticContact CD2-CE3 3.99Å; Y791-W813 HydrophobicContact CD2-CE3 3.99Å; Y791-W813 AromaticContact CD2-CG 3.6Å; Y791-W813 HydrophobicContact CD2-CG 3.6Å; Y791-W813 HydrophobicContact CE2-CB 3.89Å; Y791-W813 HydrophobicContact CE2-CG 4.24Å; Y791-W813 HydrophobicContact CG-CD2 4.46Å
792	V	72.4	Confident	67.8	Low	73 Å²	73	90.5 Å²	90.5	44%	0.442	49%	0.491	S	S	.	.	H	α-helix	trans	-63.3	-45.6	178.1	174.2	0	0	0	0	111.3	K788 A789 T795 K796	K788-V792 WeakPolarHBondContact O-CG2 3.42Å; K788-V792 PolarHBondContact O-N 2.97Å; A789-V792 PolarHBondContact O-N 3.24Å; V792-T795 PolarHBondContact O-OG1 3Å; V792-K796 HydrophobicContact CG1-CD 4.39Å; V792-K796 WeakPolarHBondContact O-CG 3.41Å; V792-K796 PolarHBondContact O-N 3.08Å; V792-K796 VanDerWaalsContact O-N 3.16Å
793	A	67.9	Low	66.3	Low	63 Å²	63	94.7 Å²	94.7	52%	0.521	51%	0.511	S	S	.	.	H	α-helix	trans	-62.7	-45.6	178.8	0	0	0	0	0	112.1	A789 Y797	A789-A793 WeakPolarHBondContact O-CB 3.41Å; A789-A793 PolarHBondContact O-N 2.94Å; A793-Y797 PolarHBondContact O-N 3.01Å
794	S	66.4	Low	64.7	Low	38 Å²	38	96 Å²	96	27%	0.266	53%	0.53	S	S	.	.	H	α-helix	trans	-67.6	-38.7	-178	-56.3	0	0	0	0	112.9	S790 Y791 Q798 W813	S790-S794 VanDerWaalsContact O-CB 3.29Å; S790-S794 WeakPolarHBondContact O-CB 3.41Å; S790-S794 PolarHBondContact O-N 2.98Å; S790-S794 PolarHBondContact O-OG 2.82Å; Y791-S794 PolarHBondContact O-N 3.42Å; S794-Q798 PolarHBondContact O-N 3.17Å; S794-W813 PolarHBondContact OG-NE1 3.07Å; S794-W813 VanDerWaalsContact OG-NE1 3.17Å
795	T	61	Low	62.9	Low	45 Å²	45	95.1 Å²	95.1	28%	0.276	53%	0.529	S	S	.	.	H	α-helix	trans	-75.6	-32.2	-178.5	51.6	0	0	0	0	112.8	Y791 V792	Y791-T795 HydrophobicContact CD2-CG2 4.13Å; Y791-T795 HydrophobicContact CE1-CG2 4.31Å; Y791-T795 HydrophobicContact CE2-CG2 3.77Å; Y791-T795 WeakPolarHBondContact O-CB 3.2Å; Y791-T795 VanDerWaalsContact O-CG2 3.31Å; Y791-T795 WeakPolarHBondContact O-CG2 3.03Å; Y791-T795 PolarHBondContact O-N 3.25Å; Y791-T795 PolarHBondContact O-OG1 3.22Å; V792-T795 PolarHBondContact O-OG1 3Å
796	K	56.7	Low	61	Low	143 Å²	143	93.7 Å²	93.7	62%	0.622	53%	0.525	S	S	*	.	H	α-helix	trans	-68.4	-36.9	171.9	-74.6	-171.8	178.3	-175.2	0	112.1	V792 Q798 K799 V800	V792-K796 HydrophobicContact CG1-CD 4.39Å; V792-K796 WeakPolarHBondContact O-CG 3.41Å; V792-K796 PolarHBondContact O-N 3.08Å; V792-K796 VanDerWaalsContact O-N 3.16Å; K796-Q798 PolarHBondContact O-N 3.08Å; K796-K799 PolarHBondContact O-N 3.31Å; K796-V800 PolarHBondContact O-N 3.36Å
797	Y	49.3	Very low	59.2	Low	136 Å²	136	97.5 Å²	97.5	53%	0.533	54%	0.542	S	S	.	.	H	α-helix	trans	-60.5	-42.7	177.5	-167	-95.2	0	0	0	112.8	A793 K799 V800 Y801 A805	A793-Y797 PolarHBondContact O-N 3.01Å; Y797-K799 VanDerWaalsContact C-N 3.29Å; Y797-K799 PolarHBondContact O-N 3.45Å; Y797-V800 PolarHBondContact O-N 3.2Å; Y797-Y801 HydrophobicContact CD2-CD2 4.1Å; Y797-Y801 HydrophobicContact CD2-CE2 4.25Å; Y797-Y801 HydrophobicContact CE1-CD2 4.31Å; Y797-Y801 AromaticContact CE2-CD2 3.83Å; Y797-Y801 HydrophobicContact CE2-CD2 3.83Å; Y797-Y801 AromaticContact CE2-CE2 3.86Å; Y797-Y801 HydrophobicContact CE2-CE2 3.86Å; Y797-Y801 HydrophobicContact CG-CD2 4.46Å; Y797-Y801 AromaticContact CZ-CD2 3.94Å; Y797-Y801 PolarHBondContact O-N 3.06Å; Y797-A805 HydrophobicContact CE1-CB 4.48Å
798	Q	51	Low	57.5	Low	130 Å²	130	98.7 Å²	98.7	61%	0.607	55%	0.554	S	S	*	*	H	α-helix	trans	-63.3	-31.5	176.5	-77.5	-176.3	-25.7	0	0	113.6	S794 K796 G802	S794-Q798 PolarHBondContact O-N 3.17Å; K796-Q798 PolarHBondContact O-N 3.08Å; Q798-G802 PolarHBondContact O-N 3.36Å
799	K	51.4	Low	56.1	Low	191 Å²	191	96 Å²	96	83%	0.83	55%	0.55	S	S	*	.	H	α-helix	trans	-70.9	-33.2	178.2	-97.5	-174.9	175.4	-176.5	0	113.2	K796 Y797	K796-K799 PolarHBondContact O-N 3.31Å; Y797-K799 VanDerWaalsContact C-N 3.29Å; Y797-K799 PolarHBondContact O-N 3.45Å
800	V	51.1	Low	55.1	Low	108 Å²	108	99.7 Å²	99.7	66%	0.655	57%	0.566	S	S	*	*	H	α-helix	trans	-84.4	-40.4	-175.1	178.4	0	0	0	0	111.9	K796 Y797	K796-V800 PolarHBondContact O-N 3.36Å; Y797-V800 PolarHBondContact O-N 3.2Å
801	Y	47.7	Very low	54.4	Low	144 Å²	144	101 Å²	101	57%	0.565	57%	0.572	S	S	*	*	H	α-helix	trans	-103.8	-0.6	-172.5	-68.1	-78.3	0	0	0	114.8	Y797	Y797-Y801 HydrophobicContact CD2-CD2 4.1Å; Y797-Y801 HydrophobicContact CD2-CE2 4.25Å; Y797-Y801 HydrophobicContact CE1-CD2 4.31Å; Y797-Y801 AromaticContact CE2-CD2 3.83Å; Y797-Y801 HydrophobicContact CE2-CD2 3.83Å; Y797-Y801 AromaticContact CE2-CE2 3.86Å; Y797-Y801 HydrophobicContact CE2-CE2 3.86Å; Y797-Y801 HydrophobicContact CG-CD2 4.46Å; Y797-Y801 AromaticContact CZ-CD2 3.94Å; Y797-Y801 PolarHBondContact O-N 3.06Å
802	G	48.2	Very low	54.1	Low	41 Å²	41	101.3 Å²	101.3	42%	0.423	59%	0.587	S	S	.	*	G	3₁₀ helix	trans	61.3	-178.5	-178.8	0	0	0	0	0	113.4	Q798 A804	Q798-G802 PolarHBondContact O-N 3.36Å; G802-A804 PolarHBondContact O-N 3.48Å; G802-A804 VanDerWaalsContact O-N 3.07Å
803	T	51.7	Low	54	Low	135 Å²	135	102.2 Å²	102.2	83%	0.828	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-70.7	2.6	-178.1	43	0	0	0	0	114.4	V806	T803-V806 WeakPolarHBondContact O-CG2 3.42Å
804	A	46.6	Very low	54	Low	100 Å²	100	108.6 Å²	108.6	83%	0.826	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-87.9	-14.9	-178.3	0	0	0	0	0	114.1	G802 V806	G802-A804 PolarHBondContact O-N 3.48Å; G802-A804 VanDerWaalsContact O-N 3.07Å; A804-V806 PolarHBondContact O-N 2.83Å
805	A	43.8	Very low	54.1	Low	47 Å²	47	114.4 Å²	114.4	39%	0.388	62%	0.623	S	S	.	*			trans	-87.4	30.3	173.3	0	0	0	0	0	113.2	Y797 N807	Y797-A805 HydrophobicContact CE1-CB 4.48Å; A805-N807 VanDerWaalsContact C-N 3.27Å; A805-N807 PolarHBondContact O-N 3.07Å
806	V	43.4	Very low	54.4	Low	85 Å²	85	120.2 Å²	120.2	52%	0.515	64%	0.644	S	S	.	*			trans	-90.1	30.8	-172.7	-177.8	0	0	0	0	112.7	T803 A804 S808	T803-V806 WeakPolarHBondContact O-CG2 3.42Å; A804-V806 PolarHBondContact O-N 2.83Å; V806-S808 PolarHBondContact O-N 2.59Å
807	N	43.3	Very low	54.5	Low	167 Å²	167	117.2 Å²	117.2	89%	0.893	65%	0.647	S	S	*	*	S	Bend	trans	-96.9	83.3	161.1	-76.8	-9.1	0	0	0	108.5	A805	A805-N807 VanDerWaalsContact C-N 3.27Å; A805-N807 PolarHBondContact O-N 3.07Å
808	S	44.6	Very low	54.6	Low	97 Å²	97	116.6 Å²	116.6	68%	0.678	66%	0.659	S	S	*	*			trans	86.4	71.2	173.6	-167.3	0	0	0	0	117.9	V806 V810	V806-S808 PolarHBondContact O-N 2.59Å; S808-V810 PolarHBondContact O-N 3.28Å; S808-V810 VanDerWaalsContact O-N 3.17Å
809	P	50.3	Low	54.9	Low	75 Å²	75	117.5 Å²	117.5	49%	0.487	66%	0.663	S	S	.	*			trans	-63.5	115.8	153.9	27.8	-29.4	0	0	0	108.4	V811	P809-V811 PolarHBondContact O-N 2.71Å; P809-V811 VanDerWaalsContact O-N 3.08Å
810	V	57.6	Low	54.7	Low	139 Å²	139	118.2 Å²	118.2	84%	0.842	67%	0.666	S	S	*	*	S	Bend	trans	-54.5	-29.2	179.5	-179.4	0	0	0	0	111.6	S808	S808-V810 PolarHBondContact O-N 3.28Å; S808-V810 VanDerWaalsContact O-N 3.17Å
811	V	63.5	Low	54.9	Low	76 Å²	76	122.2 Å²	122.2	46%	0.461	68%	0.675	S	S	.	*			trans	-145	136.7	178.6	-176.3	0	0	0	0	111.6	P809 W813	P809-V811 PolarHBondContact O-N 2.71Å; P809-V811 VanDerWaalsContact O-N 3.08Å; V811-W813 HydrophobicContact CG1-CD2 4.4Å; V811-W813 HydrophobicContact CG1-CZ2 4.05Å
812	S	68	Low	54.8	Low	94 Å²	94	120.7 Å²	120.7	66%	0.657	68%	0.683	S	S	*	*			trans	-105.7	128.3	170.9	72.1	0	0	0	0	111.7
813	W	71.3	Confident	54.9	Low	93 Å²	93	127.4 Å²	127.4	35%	0.352	71%	0.708	S	S	.	*			trans	-101	123.7	-179.6	-60.6	96.2	0	0	0	111.6	V787 Y791 S794 V811	V787-W813 HydrophobicContact CG1-CH2 3.93Å; V787-W813 HydrophobicContact CG1-CZ3 3.89Å; Y791-W813 HydrophobicContact CD2-CB 3.75Å; Y791-W813 AromaticContact CD2-CD2 3.72Å; Y791-W813 HydrophobicContact CD2-CD2 3.72Å; Y791-W813 AromaticContact CD2-CE3 3.99Å; Y791-W813 HydrophobicContact CD2-CE3 3.99Å; Y791-W813 AromaticContact CD2-CG 3.6Å; Y791-W813 HydrophobicContact CD2-CG 3.6Å; Y791-W813 HydrophobicContact CE2-CB 3.89Å; Y791-W813 HydrophobicContact CE2-CG 4.24Å; Y791-W813 HydrophobicContact CG-CD2 4.46Å; S794-W813 PolarHBondContact OG-NE1 3.07Å; S794-W813 VanDerWaalsContact OG-NE1 3.17Å; V811-W813 HydrophobicContact CG1-CD2 4.4Å; V811-W813 HydrophobicContact CG1-CZ2 4.05Å
814	K	68	Low	54.4	Low	196 Å²	196	126.4 Å²	126.4	85%	0.852	70%	0.702	S	S	*	*			trans	-127.7	120.7	172.9	-68	-176.3	-178.8	178.1	0	110
815	M	68.5	Low	54.5	Low	160 Å²	160	130.7 Å²	130.7	79%	0.788	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-72	133.3	173.8	-75.1	-171.2	175.5	0	0	110.8
816	K	66.9	Low	54.9	Low	167 Å²	167	140 Å²	140	73%	0.726	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-72.4	126.9	170.7	-171.5	-177.7	172.8	-168.1	0	108.7	E819	K816-E819 IonicContact NZ-OE1 2.96Å; K816-E819 PolarHBondContact NZ-OE1 2.9Å
817	A	59.1	Low	54.9	Low	81 Å²	81	144.5 Å²	144.5	67%	0.669	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-61	137.5	172.7	0	0	0	0	0	110.1	E819	A817-E819 PolarHBondContact O-N 3.47Å
818	P	51.2	Low	54.9	Low	122 Å²	122	145.3 Å²	145.3	79%	0.792	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-58.6	139.3	176.4	-20.9	30.8	0	0	0	111.3	K820	P818-K820 PolarHBondContact O-N 3.27Å
819	E	57.5	Low	55.2	Low	149 Å²	149	146.2 Å²	146.2	70%	0.696	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-65.5	132.2	175.3	-73.2	173.3	-163.6	0	0	110.2	K816 A817 K821	K816-E819 IonicContact NZ-OE1 2.96Å; K816-E819 PolarHBondContact NZ-OE1 2.9Å; A817-E819 PolarHBondContact O-N 3.47Å; E819-K821 PolarHBondContact O-N 3.14Å; E819-K821 VanDerWaalsContact O-N 3.09Å
820	K	46.1	Very low	54.9	Low	206 Å²	206	151.4 Å²	151.4	90%	0.896	76%	0.759	S	S	*	*			trans	-62.3	112.4	-178.3	-67.5	-176.4	179.8	-178.9	0	109.3	P818 P822	P818-K820 PolarHBondContact O-N 3.27Å; K820-P822 WeakPolarHBondContact O-CD 3.48Å
821	K	54.6	Low	54.1	Low	192 Å²	192	153.7 Å²	153.7	84%	0.835	76%	0.761	S	S	*	*			trans	-68.4	124.4	172.9	-68.1	-176.3	180	178.1	0	109.1	E819 L823	E819-K821 PolarHBondContact O-N 3.14Å; E819-K821 VanDerWaalsContact O-N 3.09Å; K821-L823 PolarHBondContact O-N 3.3Å
822	P	47.4	Very low	53.2	Low	113 Å²	113	159.3 Å²	159.3	73%	0.734	78%	0.779	S	S	*	*			trans	-64	125.3	175.6	-16.5	28.6	0	0	0	110	K820 V824	K820-P822 WeakPolarHBondContact O-CD 3.48Å; P822-V824 PolarHBondContact O-N 3.08Å
823	L	48.9	Very low	51.7	Low	181 Å²	181	163.1 Å²	163.1	95%	0.948	79%	0.787	S	S	*	*	S	Bend	trans	-66.8	-13.7	-179.2	-92.4	103.1	0	0	0	114	K821	K821-L823 PolarHBondContact O-N 3.3Å
824	V	41.7	Very low	49.9	Very low	115 Å²	115	165.3 Å²	165.3	70%	0.697	81%	0.81	S	S	*	*	S	Bend	trans	-136	115.8	179.9	-175.3	0	0	0	0	109.2	P822 R826	P822-V824 PolarHBondContact O-N 3.08Å; V824-R826 PolarHBondContact O-N 3.21Å
825	K	49.6	Very low	48.5	Very low	190 Å²	190	167.3 Å²	167.3	83%	0.826	81%	0.812	S	S	*	*			trans	-72.7	108.7	171.1	-74.8	-178.6	176.5	-179.1	0	108.4	E827	K825-E827 PolarHBondContact O-N 3.49Å
826	R	51.8	Low	46.9	Very low	241 Å²	241	166.5 Å²	166.5	91%	0.909	82%	0.816	S	S	*	*			trans	-75.4	101.4	165.6	-79.6	-178.1	166.1	173.2	-4.5	108	V824	V824-R826 PolarHBondContact O-N 3.21Å
827	E	42.4	Very low	45.5	Very low	181 Å²	181	169.8 Å²	169.8	85%	0.846	82%	0.824	S	S	*	*			trans	-71.1	131.1	174.5	-71.5	-179.8	162.5	0	0	110	K825	K825-E827 PolarHBondContact O-N 3.49Å
828	K	44.8	Very low	44.5	Very low	183 Å²	183	177 Å²	177	80%	0.796	83%	0.834	S	S	*	*			trans	-89.6	144.5	177.9	-74.2	-177.7	177	-179.4	0	109.9	E830	K828-E830 VanDerWaalsContact C-N 3.27Å; K828-E830 PolarHBondContact O-N 2.9Å; K828-E830 VanDerWaalsContact O-N 3.14Å
829	P	49.4	Very low	43.9	Very low	117 Å²	117	174.5 Å²	174.5	76%	0.76	83%	0.831	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-0.6	-166	-13.1	29.8	0	0	0	116
830	E	44.5	Very low	43.1	Very low	184 Å²	184	172.7 Å²	172.7	86%	0.86	83%	0.834	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-2.5	-168	-69.1	179.2	163.1	0	0	114.6	K828 F832	K828-E830 VanDerWaalsContact C-N 3.27Å; K828-E830 PolarHBondContact O-N 2.9Å; K828-E830 VanDerWaalsContact O-N 3.14Å; E830-F832 PolarHBondContact O-N 3.36Å
831	E	42	Very low	42.9	Very low	187 Å²	187	171.5 Å²	171.5	87%	0.874	83%	0.832	S	S	*	*			trans	-97.1	55	177.3	-68.5	-176.3	178.6	0	0	112.2
832	F	43	Very low	42.5	Very low	193 Å²	193	172.2 Å²	172.2	85%	0.846	84%	0.835	S	S	*	*			trans	-105.7	8.3	171.3	-106.9	-77.7	0	0	0	114.7	E830	E830-F832 PolarHBondContact O-N 3.36Å
833	Q	37	Very low	42.2	Very low	175 Å²	175	175.7 Å²	175.7	82%	0.818	84%	0.838	S	S	*	*	S	Bend	trans	-127.2	110.9	178.2	-70.2	-170.8	-3.3	0	0	113.1
834	T	34.1	Very low	42.4	Very low	138 Å²	138	175.4 Å²	175.4	85%	0.847	83%	0.832	S	S	*	*	S	Bend	trans	96.2	119.7	152.1	63.3	0	0	0	0	120.3
835	R	37.5	Very low	43	Very low	238 Å²	238	174.8 Å²	174.8	90%	0.898	82%	0.824	S	S	*	*			trans	78.4	84.1	156.8	-71.1	-179.8	172	176.7	-1.5	117.3	R837	R835-R837 PolarHBondContact O-N 3.22Å
836	V	34.7	Very low	43.2	Very low	143 Å²	143	168.2 Å²	168.2	87%	0.867	80%	0.802	S	S	*	*			trans	-52.6	85.9	143.6	-177.6	0	0	0	0	109	R838	V836-R838 PolarHBondContact O-N 3.03Å
837	R	37.9	Very low	43.6	Very low	237 Å²	237	161.3 Å²	161.3	89%	0.894	79%	0.788	S	S	*	*			trans	-86	98.9	157.1	-131.5	-179.7	-175.1	-177.7	0.5	105	R835 G839	R835-R837 PolarHBondContact O-N 3.22Å; R837-G839 PolarHBondContact O-N 3.01Å
838	R	39	Very low	44.7	Very low	232 Å²	232	158.1 Å²	158.1	88%	0.875	78%	0.781	S	S	*	*			trans	-45.7	111.8	166.9	-86	-179.9	172.1	172.7	-2.8	107.1	V836 S840	V836-R838 PolarHBondContact O-N 3.03Å; R838-S840 PolarHBondContact O-N 3.29Å
839	G	38.3	Very low	45.7	Very low	70 Å²	70	155 Å²	155	72%	0.722	77%	0.769	S	S	*	*			trans	-57.8	113.9	167.2	0	0	0	0	0	106.9	R837 Q841	R837-G839 PolarHBondContact O-N 3.01Å; G839-Q841 PolarHBondContact O-N 2.75Å; G839-Q841 VanDerWaalsContact O-N 3.17Å
840	S	41.2	Very low	46.6	Very low	111 Å²	111	151.6 Å²	151.6	78%	0.776	75%	0.75	S	S	*	*			trans	-55.9	121.9	160.8	45	0	0	0	0	106	R838 K842	R838-S840 PolarHBondContact O-N 3.29Å; S840-K842 PolarHBondContact O-N 3.23Å
841	Q	42.2	Very low	47.2	Very low	181 Å²	181	148.7 Å²	148.7	85%	0.846	74%	0.74	S	S	*	*			trans	-48.5	119.1	167.3	-72.4	-170	-25.1	0	0	106.8	G839 K843	G839-Q841 PolarHBondContact O-N 2.75Å; G839-Q841 VanDerWaalsContact O-N 3.17Å; Q841-K843 PolarHBondContact O-N 2.94Å
842	K	44.3	Very low	48.3	Very low	206 Å²	206	143.7 Å²	143.7	90%	0.896	73%	0.726	S	S	*	*			trans	-59.7	97.8	168.3	-77.3	-174.9	174.3	-175.8	0	105.6	S840 H844	S840-K842 PolarHBondContact O-N 3.23Å; K842-H844 PolarHBondContact O-N 3.35Å
843	K	42.7	Very low	49.3	Very low	186 Å²	186	142.1 Å²	142.1	81%	0.809	72%	0.721	S	S	*	*			trans	-55.2	123.7	169.3	-82	-173.7	174	-176.3	0	106	Q841 I845	Q841-K843 PolarHBondContact O-N 2.94Å; K843-I845 VanDerWaalsContact C-N 3.29Å; K843-I845 PolarHBondContact O-N 3.5Å
844	H	52.2	Low	49.9	Very low	175 Å²	175	142.2 Å²	142.2	81%	0.81	72%	0.719	S	S	*	*			trans	-63.9	96.2	168.3	-174.2	-78.5	0	0	0	106.8	K842 S846	K842-H844 PolarHBondContact O-N 3.35Å; H844-S846 PolarHBondContact O-N 2.96Å
845	I	53.7	Low	50.3	Low	103 Å²	103	144.8 Å²	144.8	53%	0.528	72%	0.719	S	S	.	*			trans	-70.4	119.4	175.6	-67.5	169.9	0	0	0	105.9	K843 Q849 A850	K843-I845 VanDerWaalsContact C-N 3.29Å; K843-I845 PolarHBondContact O-N 3.5Å; I845-Q849 HydrophobicContact CG2-CB 4.06Å; I845-A850 HydrophobicContact CG2-CB 4.14Å
846	S	54.9	Low	50.5	Low	52 Å²	52	137.9 Å²	137.9	36%	0.364	71%	0.713	S	S	.	*			trans	-67.6	145.9	175.9	88.6	0	0	0	0	108.9	H844 V848 Q849 A850	H844-S846 PolarHBondContact O-N 2.96Å; S846-V848 PolarHBondContact O-N 3.17Å; S846-V848 VanDerWaalsContact O-N 3.07Å; S846-Q849 WeakPolarHBondContact O-CB 3.48Å; S846-Q849 PolarHBondContact O-N 2.8Å; S846-A850 PolarHBondContact O-N 3.18Å
847	P	59.7	Low	50.7	Low	96 Å²	96	140 Å²	140	62%	0.623	72%	0.715	S	S	*	*	H	α-helix	trans	-52.8	-33.6	-176.9	-28.2	35	0	0	0	114.1	Q849 A850 L851	P847-Q849 VanDerWaalsContact C-N 3.34Å; P847-Q849 PolarHBondContact O-N 3.44Å; P847-A850 PolarHBondContact O-N 3.09Å; P847-L851 WeakPolarHBondContact O-CG 3.46Å; P847-L851 PolarHBondContact O-N 3.01Å; P847-L851 VanDerWaalsContact O-N 3.14Å
848	V	65.7	Low	51	Low	113 Å²	113	136.6 Å²	136.6	69%	0.685	72%	0.715	S	S	*	*	H	α-helix	trans	-64.4	-37.6	176.8	-179.2	0	0	0	0	111.8	S846 A850 L851 S852	S846-V848 PolarHBondContact O-N 3.17Å; S846-V848 VanDerWaalsContact O-N 3.07Å; V848-A850 VanDerWaalsContact C-N 3.34Å; V848-L851 PolarHBondContact O-N 3.32Å; V848-S852 PolarHBondContact O-N 2.8Å
849	Q	65.8	Low	51.2	Low	119 Å²	119	130.7 Å²	130.7	56%	0.556	71%	0.709	S	S	*	*	H	α-helix	trans	-74.5	-24.5	178.7	-162.8	173.8	29.9	0	0	112.5	I845 S846 P847 S852	I845-Q849 HydrophobicContact CG2-CB 4.06Å; S846-Q849 WeakPolarHBondContact O-CB 3.48Å; S846-Q849 PolarHBondContact O-N 2.8Å; P847-Q849 VanDerWaalsContact C-N 3.34Å; P847-Q849 PolarHBondContact O-N 3.44Å; Q849-S852 PolarHBondContact O-OG 3.07Å; Q849-S852 VanDerWaalsContact O-OG 3.08Å
850	A	67.7	Low	51.3	Low	44 Å²	44	140.9 Å²	140.9	36%	0.364	73%	0.734	S	S	.	*	H	α-helix	trans	-76.8	-29.6	171	0	0	0	0	0	112.2	I845 S846 P847 V848	I845-A850 HydrophobicContact CG2-CB 4.14Å; S846-A850 PolarHBondContact O-N 3.18Å; P847-A850 PolarHBondContact O-N 3.09Å; V848-A850 VanDerWaalsContact C-N 3.34Å
851	L	58	Low	51.8	Low	123 Å²	123	142.4 Å²	142.4	64%	0.644	73%	0.732	S	S	*	*	H	α-helix	trans	-76.5	-26.6	178.7	-75.1	164.2	0	0	0	113.1	P847 V848 E853 F854	P847-L851 WeakPolarHBondContact O-CG 3.46Å; P847-L851 PolarHBondContact O-N 3.01Å; P847-L851 VanDerWaalsContact O-N 3.14Å; V848-L851 PolarHBondContact O-N 3.32Å; L851-E853 PolarHBondContact O-N 2.94Å; L851-E853 VanDerWaalsContact O-N 3.17Å; L851-F854 PolarHBondContact O-N 3.45Å
852	S	65.4	Low	52.3	Low	82 Å²	82	140.3 Å²	140.3	57%	0.573	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-9.8	177.7	65.4	0	0	0	0	114.3	V848 Q849 F854	V848-S852 PolarHBondContact O-N 2.8Å; Q849-S852 PolarHBondContact O-OG 3.07Å; Q849-S852 VanDerWaalsContact O-OG 3.08Å; S852-F854 PolarHBondContact O-N 3.27Å
853	E	62.8	Low	52.8	Low	161 Å²	161	136.7 Å²	136.7	75%	0.752	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-9.9	174.8	-66.9	-174.4	173.6	0	0	113	L851	L851-E853 PolarHBondContact O-N 2.94Å; L851-E853 VanDerWaalsContact O-N 3.17Å
854	F	50.7	Low	53.4	Low	177 Å²	177	133.8 Å²	133.8	78%	0.776	71%	0.711	S	S	*	*			trans	-101.8	48.2	177.7	-66.6	-82.9	0	0	0	113.2	L851 S852	L851-F854 PolarHBondContact O-N 3.45Å; S852-F854 PolarHBondContact O-N 3.27Å
855	K	42.1	Very low	53.4	Low	191 Å²	191	131.2 Å²	131.2	83%	0.83	71%	0.705	S	S	*	*			trans	-94.7	118	161.1	-88.1	-172	174.7	-178.8	0	109.7	M857	K855-M857 PolarHBondContact O-N 3.21Å
856	A	40.8	Very low	53.4	Low	94 Å²	94	133.1 Å²	133.1	78%	0.777	72%	0.717	S	S	*	*			trans	-52.8	123.8	176.9	0	0	0	0	0	110.5	D858	A856-D858 PolarHBondContact O-N 3.14Å
857	M	39.4	Very low	53.3	Low	187 Å²	187	138.9 Å²	138.9	92%	0.921	74%	0.742	S	S	*	*			trans	-73.6	115.7	166.2	-90.4	-177.7	150.2	0	0	107.9	K855 S859	K855-M857 PolarHBondContact O-N 3.21Å; M857-S859 PolarHBondContact O-N 3.21Å
858	D	44.6	Very low	52.8	Low	165 Å²	165	142.2 Å²	142.2	88%	0.882	75%	0.751	S	S	*	*			trans	-50.8	120.8	169.3	-69.9	-44.4	0	0	0	110.1	A856 F860	A856-D858 PolarHBondContact O-N 3.14Å; D858-F860 PolarHBondContact O-N 3.33Å
859	S	41.9	Very low	51.8	Low	109 Å²	109	144.6 Å²	144.6	76%	0.762	76%	0.757	S	S	*	*			trans	-79.5	112.2	176.6	49.3	0	0	0	0	110.4	M857	M857-S859 PolarHBondContact O-N 3.21Å
860	F	41.8	Very low	50.5	Low	283 Å²	283	146.9 Å²	146.9	100%	1.241	78%	0.775	S	S	*	*			trans	35.6	0	155.7	-67	-77.4	0	0	0	120.4	D858	D858-F860 PolarHBondContact O-N 3.33Å

Retrieved 860 of 860 residues in 345.4 ms (Link to these results)

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